6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane

C77H104Cl5F6N19O2SSn — CID 159941494

IUPAC6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane
SMILESC=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Clc1cc(Cl)nc(-n2ccc(C3CC3)n2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C4CC4)n3)n2)CC1.NC1CCC(F)(F)CC1.c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H23F2N5.C16H18ClF2N5.C10H8Cl2N4.C6H11F2N.C6H8N2.C5H4Cl2N2O2S.3C4H9.C3H5.Sn/c1-12(2)16-11-17(22-14-5-8-19(20,21)9-6-14)24-18(23-16)26-10-7-15(25-26)13-3-4-13;17-13-9-14(20-11-3-6-16(18,19)7-4-11)22-15(21-13)24-8-5-12(23-24)10-1-2-10;11-8-5-9(12)14-10(13-8)16-4-3-7(15-16)6-1-2-6;7-6(8)3-1-5(9)2-4-6;1-2-5(1)6-3-4-7-8-6;1-12(10,11)5-8-3(6)2-4(7)9-5;3*1-3-4-2;1-3-2;/h7,10-11,13-14H,1,3-6,8-9H2,2H3,(H,22,23,24);5,8-11H,1-4,6-7H2,(H,20,21,22);3-6H,1-2H2;5H,1-4,9H2;3-5H,1-2H2,(H,7,8);2H,1H3;3*1,3-4H2,2H3;1H2,2H3;
InChIKeyOAYBKDPDLWPGJF-UHFFFAOYSA-N
MW1769.84 g/mol
LogP21.54
Rot. Bonds23

About 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane

6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane (PubChem CID 159941494) has the molecular formula C77H104Cl5F6N19O2SSn and a molecular weight of 1769.84 g/mol. Its IUPAC name is 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane.

Molecular Properties

Compound Name6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane
PubChem CID159941494
Molecular FormulaC77H104Cl5F6N19O2SSn
Molecular Weight1769.84 g/mol
Exact Mass1767.57
IUPAC Name6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane
SMILESC=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Clc1cc(Cl)nc(-n2ccc(C3CC3)n2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C4CC4)n3)n2)CC1.NC1CCC(F)(F)CC1.c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H23F2N5.C16H18ClF2N5.C10H8Cl2N4.C6H11F2N.C6H8N2.C5H4Cl2N2O2S.3C4H9.C3H5.Sn/c1-12(2)16-11-17(22-14-5-8-19(20,21)9-6-14)24-18(23-16)26-10-7-15(25-26)13-3-4-13;17-13-9-14(20-11-3-6-16(18,19)7-4-11)22-15(21-13)24-8-5-12(23-24)10-1-2-10;11-8-5-9(12)14-10(13-8)16-4-3-7(15-16)6-1-2-6;7-6(8)3-1-5(9)2-4-6;1-2-5(1)6-3-4-7-8-6;1-12(10,11)5-8-3(6)2-4(7)9-5;3*1-3-4-2;1-3-2;/h7,10-11,13-14H,1,3-6,8-9H2,2H3,(H,22,23,24);5,8-11H,1-4,6-7H2,(H,20,21,22);3-6H,1-2H2;5H,1-4,9H2;3-5H,1-2H2,(H,7,8);2H,1H3;3*1,3-4H2,2H3;1H2,2H3;
InChIKeyOAYBKDPDLWPGJF-UHFFFAOYSA-N
XLogP21.54
TPSA269.48 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.84
LogP ≤ 521.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane with MolForge

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Related Compounds

tert-butyl 4-[2-(3-cyclopropylpyrazol-1-yl)-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;1-[4-[2-(3-cyclopropylpyrazol-1-yl)-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine
CID 157989943
4-aminochloranuidyl-1,1-difluorocyclohexane;5-tert-butyl-1H-pyrazole;2-(3-tert-butylpyrazol-1-yl)-6-chloro-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-tert-butylpyrazol-1-yl)-4,6-dichloropyrimidine;2-(3-tert-butylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-4-amine;4,6-dichloro-2-methylsulfonylpyrimidine;morpholine
CID 158728246
2-chloro-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)pyrimidin-2-amine;bis(5-cyclopropyl-1H-pyrazole);2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-2-amine;2,4-dichloropyrimidine;4,4-difluorocyclohexan-1-amine
CID 159698025
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole
CID 160512773
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole;2,4,6-trichloropyridine
CID 160954344
6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-ethenylpyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-ethylpyrimidin-4-amine;tributyl(ethenyl)stannane
CID 161102032

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane?
The IUPAC name of 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane (CID 159941494) is 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane.
What is the SMILES notation for 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane?
The canonical SMILES for 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane is C=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Clc1cc(Cl)nc(-n2ccc(C3CC3)n2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C4CC4)n3)n2)CC1.NC1CCC(F)(F)CC1.c1cc(C2CC2)[nH]n1.
What is the InChIKey of 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane?
The InChIKey is OAYBKDPDLWPGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5.C16H18ClF2N5.C10H8Cl2N4.C6H11F2N.C6H8N2.C5H4Cl2N2O2S.3C4H9.C3H5.Sn/c1-12(2)16-11-17(22-14-5-8-19(20,21)9-6-14)24-18(23-16)26-10-7-15(25-26)13-3-4-13;17-13-9-14(20-11-3-6-16(18,19)7-4-11)22-15(21-13)24-8-5-12(23-24)10-1-2-10;11-8-5-9(12)14-10(13-8)16-4-3-7(15-16)6-1-2-6;7-6(8)3-1-5(9)2-4-6;1-2-5(1)6-3-4-7-8-6;1-12(10,11)5-8-3(6)2-4(7)9-5;3*1-3-4-2;1-3-2;/h7,10-11,13-14H,1,3-6,8-9H2,2H3,(H,22,23,24);5,8-11H,1-4,6-7H2,(H,20,21,22);3-6H,1-2H2;5H,1-4,9H2;3-5H,1-2H2,(H,7,8);2H,1H3;3*1,3-4H2,2H3;1H2,2H3;.
What are the key properties of 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane?
6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane has a molecular weight of 1769.84 g/mol, XLogP of 21.54, 23 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-prop-1-en-2-ylpyrimidin-4-amine;4,6-dichloro-2-(3-cyclopropylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;tributyl(prop-1-en-2-yl)stannane is sourced from PubChem (CID 159941494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).