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

C66H92ClF6N15Sn — CID 161102032

IUPAC6-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
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.CCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C4CC4)n3)n2)CC1
InChIInChI=1S/C18H23F2N5.C18H21F2N5.C16H18ClF2N5.3C4H9.C2H3.Sn/c2*1-2-13-11-16(21-14-5-8-18(19,20)9-6-14)23-17(22-13)25-10-7-15(24-25)12-3-4-12;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;3*1-3-4-2;1-2;/h7,10-12,14H,2-6,8-9H2,1H3,(H,21,22,23);2,7,10-12,14H,1,3-6,8-9H2,(H,21,22,23);5,8-11H,1-4,6-7H2,(H,20,21,22);3*1,3-4H2,2H3;1H,2H2;
InChIKeyUIOFDDBPKLKZEN-UHFFFAOYSA-N
MW1363.72 g/mol
LogP18.01
Rot. Bonds24

About 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

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 (PubChem CID 161102032) has the molecular formula C66H92ClF6N15Sn and a molecular weight of 1363.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID161102032
Molecular FormulaC66H92ClF6N15Sn
Molecular Weight1363.72 g/mol
Exact Mass1363.63
IUPAC Name6-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
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.CCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C4CC4)n3)n2)CC1
InChIInChI=1S/C18H23F2N5.C18H21F2N5.C16H18ClF2N5.3C4H9.C2H3.Sn/c2*1-2-13-11-16(21-14-5-8-18(19,20)9-6-14)23-17(22-13)25-10-7-15(24-25)12-3-4-12;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;3*1-3-4-2;1-2;/h7,10-12,14H,2-6,8-9H2,1H3,(H,21,22,23);2,7,10-12,14H,1,3-6,8-9H2,(H,21,22,23);5,8-11H,1-4,6-7H2,(H,20,21,22);3*1,3-4H2,2H3;1H,2H2;
InChIKeyUIOFDDBPKLKZEN-UHFFFAOYSA-N
XLogP18.01
TPSA166.89 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.72
LogP ≤ 518.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine
CID 158176652
6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane
CID 158465974
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 158844064
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 158965312
4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 159078630
6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;cyclopropylboronic acid;6-cyclopropyl-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine
CID 159137466
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole
CID 159473689
4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine
CID 159530773
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-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
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-6-N-(2,2-dimethylpropyl)-2-(3-methylpyrazol-1-yl)pyrimidine-4,6-diamine;2,2-dimethylpropan-1-amine
CID 160176350
2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine;2,4-dichloro-5-ethylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-5-ethylpyrimidin-4-amine;3,5-dimethyl-2H-pyrrole
CID 160777979

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.CCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C4CC4)n3)n2)CC1.
What is the InChIKey of 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?
The InChIKey is UIOFDDBPKLKZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5.C18H21F2N5.C16H18ClF2N5.3C4H9.C2H3.Sn/c2*1-2-13-11-16(21-14-5-8-18(19,20)9-6-14)23-17(22-13)25-10-7-15(24-25)12-3-4-12;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;3*1-3-4-2;1-2;/h7,10-12,14H,2-6,8-9H2,1H3,(H,21,22,23);2,7,10-12,14H,1,3-6,8-9H2,(H,21,22,23);5,8-11H,1-4,6-7H2,(H,20,21,22);3*1,3-4H2,2H3;1H,2H2;.
What are the key properties of 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?
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 has a molecular weight of 1363.72 g/mol, XLogP of 18.01, 24 rotatable bonds, 3 hydrogen bond donors, and 15 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;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 is sourced from PubChem (CID 161102032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).