4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine

C67H97ClF6N34 — CID 158215760

IUPAC4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESC.C.C.CNC1CN(c2cc(-c3cnn(C(F)(F)F)c3)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3C)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3Cl)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3n[nH]c(C)c3C)nc(N)n2)C1.C[C@@H]1CCN(c2cc(-c3cnn(C(F)(F)F)c3)nc(N)n2)C1
InChIInChI=1S/C14H21N7.C13H15F3N6.C13H19N7.C12H16ClN7.C12H14F3N7.3CH4/c1-8-9(2)19-20-13(8)11-6-12(18-14(15)17-11)21-5-4-10(7-21)16-3;1-8-2-3-21(6-8)11-4-10(19-12(17)20-11)9-5-18-22(7-9)13(14,15)16;1-8-6-16-19-12(8)10-5-11(18-13(14)17-10)20-4-3-9(7-20)15-2;1-15-7-2-3-20(6-7)10-4-9(17-12(14)18-10)11-8(13)5-16-19-11;1-17-8-5-21(6-8)10-2-9(19-11(16)20-10)7-3-18-22(4-7)12(13,14)15;;;/h6,10,16H,4-5,7H2,1-3H3,(H,19,20)(H2,15,17,18);4-5,7-8H,2-3,6H2,1H3,(H2,17,19,20);5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)(H2,14,17,18);4-5,7,15H,2-3,6H2,1H3,(H,16,19)(H2,14,17,18);2-4,8,17H,5-6H2,1H3,(H2,16,19,20);3*1H4/t10-;8-;9-;7-;;;;/m1111..../s1
InChIKeyGCPWMTALJFLHNC-IERKCGBVSA-N
MW1528.19 g/mol
LogP7.28
Rot. Bonds14

About 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine

4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 158215760) has the molecular formula C67H97ClF6N34 and a molecular weight of 1528.19 g/mol. Its IUPAC name is 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID158215760
Molecular FormulaC67H97ClF6N34
Molecular Weight1528.19 g/mol
Exact Mass1526.82
IUPAC Name4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESC.C.C.CNC1CN(c2cc(-c3cnn(C(F)(F)F)c3)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3C)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3Cl)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3n[nH]c(C)c3C)nc(N)n2)C1.C[C@@H]1CCN(c2cc(-c3cnn(C(F)(F)F)c3)nc(N)n2)C1
InChIInChI=1S/C14H21N7.C13H15F3N6.C13H19N7.C12H16ClN7.C12H14F3N7.3CH4/c1-8-9(2)19-20-13(8)11-6-12(18-14(15)17-11)21-5-4-10(7-21)16-3;1-8-2-3-21(6-8)11-4-10(19-12(17)20-11)9-5-18-22(7-9)13(14,15)16;1-8-6-16-19-12(8)10-5-11(18-13(14)17-10)20-4-3-9(7-20)15-2;1-15-7-2-3-20(6-7)10-4-9(17-12(14)18-10)11-8(13)5-16-19-11;1-17-8-5-21(6-8)10-2-9(19-11(16)20-10)7-3-18-22(4-7)12(13,14)15;;;/h6,10,16H,4-5,7H2,1-3H3,(H,19,20)(H2,15,17,18);4-5,7-8H,2-3,6H2,1H3,(H2,17,19,20);5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)(H2,14,17,18);4-5,7,15H,2-3,6H2,1H3,(H,16,19)(H2,14,17,18);2-4,8,17H,5-6H2,1H3,(H2,16,19,20);3*1H4/t10-;8-;9-;7-;;;;/m1111..../s1
InChIKeyGCPWMTALJFLHNC-IERKCGBVSA-N
XLogP7.28
TPSA445.00 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001528.19
LogP ≤ 57.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine (CID 158215760) is 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine is C.C.C.CNC1CN(c2cc(-c3cnn(C(F)(F)F)c3)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3C)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3Cl)nc(N)n2)C1.CN[C@@H]1CCN(c2cc(-c3n[nH]c(C)c3C)nc(N)n2)C1.C[C@@H]1CCN(c2cc(-c3cnn(C(F)(F)F)c3)nc(N)n2)C1.
What is the InChIKey of 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is GCPWMTALJFLHNC-IERKCGBVSA-N. The full InChI is InChI=1S/C14H21N7.C13H15F3N6.C13H19N7.C12H16ClN7.C12H14F3N7.3CH4/c1-8-9(2)19-20-13(8)11-6-12(18-14(15)17-11)21-5-4-10(7-21)16-3;1-8-2-3-21(6-8)11-4-10(19-12(17)20-11)9-5-18-22(7-9)13(14,15)16;1-8-6-16-19-12(8)10-5-11(18-13(14)17-10)20-4-3-9(7-20)15-2;1-15-7-2-3-20(6-7)10-4-9(17-12(14)18-10)11-8(13)5-16-19-11;1-17-8-5-21(6-8)10-2-9(19-11(16)20-10)7-3-18-22(4-7)12(13,14)15;;;/h6,10,16H,4-5,7H2,1-3H3,(H,19,20)(H2,15,17,18);4-5,7-8H,2-3,6H2,1H3,(H2,17,19,20);5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)(H2,14,17,18);4-5,7,15H,2-3,6H2,1H3,(H,16,19)(H2,14,17,18);2-4,8,17H,5-6H2,1H3,(H2,16,19,20);3*1H4/t10-;8-;9-;7-;;;;/m1111..../s1.
What are the key properties of 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine?
4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 1528.19 g/mol, XLogP of 7.28, 14 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;4-(4,5-dimethyl-1H-pyrazol-3-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;methane;4-[3-(methylamino)azetidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 158215760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).