5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide

C87H89Cl6F6N19O13 — CID 158771465

IUPAC5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide
SMILESC=C1C(N)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C=C1C(NC(=O)C(F)(F)F)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C=C1C(NCc2ccc(OC)cc2)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1NC(=O)C(F)(F)F)c1cccc(-c2cnn(Cc3cccc(C(N)=O)c3)c2)c1
InChIInChI=1S/C26H22F3N7O5.C25H28Cl2N4O3.C19H19Cl2F3N4O3.C17H20Cl2N4O2/c1-13(32-22(38)20-19(23(39)35-25(41)34-20)33-24(40)26(27,28)29)15-5-3-6-16(9-15)18-10-31-36(12-18)11-14-4-2-7-17(8-14)21(30)37;1-15(5-6-17-9-12-20(26)21(27)13-17)29-24(32)23-22(16(2)31(3)25(33)30-23)28-14-18-7-10-19(34-4)11-8-18;1-9(4-5-11-6-7-12(20)13(21)8-11)25-16(29)15-14(26-17(30)19(22,23)24)10(2)28(3)18(31)27-15;1-9(4-5-11-6-7-12(18)13(19)8-11)21-16(24)15-14(20)10(2)23(3)17(25)22-15/h2-10,12-13H,11H2,1H3,(H2,30,37)(H,32,38)(H,33,40)(H2,34,35,39,41);7-13,15,28H,2,5-6,14H2,1,3-4H3,(H,29,32)(H,30,33);6-9H,2,4-5H2,1,3H3,(H,25,29)(H,26,30)(H,27,31);6-9H,2,4-5,20H2,1,3H3,(H,21,24)(H,22,25)/t13-;15-;2*9-/m1111/s1
InChIKeyIPXOWBOTYHVLSK-SSBSGDDWSA-N
MW1935.49 g/mol
LogP12.93
Rot. Bonds28

About 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide

5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide (PubChem CID 158771465) has the molecular formula C87H89Cl6F6N19O13 and a molecular weight of 1935.49 g/mol. Its IUPAC name is 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide
PubChem CID158771465
Molecular FormulaC87H89Cl6F6N19O13
Molecular Weight1935.49 g/mol
Exact Mass1931.49
IUPAC Name5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide
SMILESC=C1C(N)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C=C1C(NC(=O)C(F)(F)F)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C=C1C(NCc2ccc(OC)cc2)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1NC(=O)C(F)(F)F)c1cccc(-c2cnn(Cc3cccc(C(N)=O)c3)c2)c1
InChIInChI=1S/C26H22F3N7O5.C25H28Cl2N4O3.C19H19Cl2F3N4O3.C17H20Cl2N4O2/c1-13(32-22(38)20-19(23(39)35-25(41)34-20)33-24(40)26(27,28)29)15-5-3-6-16(9-15)18-10-31-36(12-18)11-14-4-2-7-17(8-14)21(30)37;1-15(5-6-17-9-12-20(26)21(27)13-17)29-24(32)23-22(16(2)31(3)25(33)30-23)28-14-18-7-10-19(34-4)11-8-18;1-9(4-5-11-6-7-12(20)13(21)8-11)25-16(29)15-14(26-17(30)19(22,23)24)10(2)28(3)18(31)27-15;1-9(4-5-11-6-7-12(18)13(19)8-11)21-16(24)15-14(20)10(2)23(3)17(25)22-15/h2-10,12-13H,11H2,1H3,(H2,30,37)(H,32,38)(H,33,40)(H2,34,35,39,41);7-13,15,28H,2,5-6,14H2,1,3-4H3,(H,29,32)(H,30,33);6-9H,2,4-5H2,1,3H3,(H,25,29)(H,26,30)(H,27,31);6-9H,2,4-5,20H2,1,3H3,(H,21,24)(H,22,25)/t13-;15-;2*9-/m1111/s1
InChIKeyIPXOWBOTYHVLSK-SSBSGDDWSA-N
XLogP12.93
TPSA445.53 Ų
H-Bond Donors14
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.49
LogP ≤ 512.93
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1017

Analyze 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide (CID 158771465) is 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide is C=C1C(N)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C=C1C(NC(=O)C(F)(F)F)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C=C1C(NCc2ccc(OC)cc2)=C(C(=O)N[C@H](C)CCc2ccc(Cl)c(Cl)c2)NC(=O)N1C.C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1NC(=O)C(F)(F)F)c1cccc(-c2cnn(Cc3cccc(C(N)=O)c3)c2)c1.
What is the InChIKey of 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide?
The InChIKey is IPXOWBOTYHVLSK-SSBSGDDWSA-N. The full InChI is InChI=1S/C26H22F3N7O5.C25H28Cl2N4O3.C19H19Cl2F3N4O3.C17H20Cl2N4O2/c1-13(32-22(38)20-19(23(39)35-25(41)34-20)33-24(40)26(27,28)29)15-5-3-6-16(9-15)18-10-31-36(12-18)11-14-4-2-7-17(8-14)21(30)37;1-15(5-6-17-9-12-20(26)21(27)13-17)29-24(32)23-22(16(2)31(3)25(33)30-23)28-14-18-7-10-19(34-4)11-8-18;1-9(4-5-11-6-7-12(20)13(21)8-11)25-16(29)15-14(26-17(30)19(22,23)24)10(2)28(3)18(31)27-15;1-9(4-5-11-6-7-12(18)13(19)8-11)21-16(24)15-14(20)10(2)23(3)17(25)22-15/h2-10,12-13H,11H2,1H3,(H2,30,37)(H,32,38)(H,33,40)(H2,34,35,39,41);7-13,15,28H,2,5-6,14H2,1,3-4H3,(H,29,32)(H,30,33);6-9H,2,4-5H2,1,3H3,(H,25,29)(H,26,30)(H,27,31);6-9H,2,4-5,20H2,1,3H3,(H,21,24)(H,22,25)/t13-;15-;2*9-/m1111/s1.
What are the key properties of 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide?
5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide has a molecular weight of 1935.49 g/mol, XLogP of 12.93, 28 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(1R)-1-[3-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]phenyl]ethyl]-2,4-dioxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-5-[(4-methoxyphenyl)methylamino]-3-methyl-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide;N-[(2R)-4-(3,4-dichlorophenyl)butan-2-yl]-3-methyl-4-methylidene-2-oxo-5-[(2,2,2-trifluoroacetyl)amino]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 158771465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).