6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide

C12H15ClF2N4O3S — CID 167897380

IUPAC6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide
SMILESNc1cc(C(=O)NS(=O)(=O)CC2CCCCC2(F)F)nc(Cl)n1
InChIInChI=1S/C12H15ClF2N4O3S/c13-11-17-8(5-9(16)18-11)10(20)19-23(21,22)6-7-3-1-2-4-12(7,14)15/h5,7H,1-4,6H2,(H,19,20)(H2,16,17,18)
InChIKeyFQZDRSVAUCMEAD-UHFFFAOYSA-N
MW368.79 g/mol
LogP1.60
Rot. Bonds4

About 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide

6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide (PubChem CID 167897380) has the molecular formula C12H15ClF2N4O3S and a molecular weight of 368.79 g/mol. Its IUPAC name is 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide
PubChem CID167897380
Molecular FormulaC12H15ClF2N4O3S
Molecular Weight368.79 g/mol
Exact Mass368.05
IUPAC Name6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide
SMILESNc1cc(C(=O)NS(=O)(=O)CC2CCCCC2(F)F)nc(Cl)n1
InChIInChI=1S/C12H15ClF2N4O3S/c13-11-17-8(5-9(16)18-11)10(20)19-23(21,22)6-7-3-1-2-4-12(7,14)15/h5,7H,1-4,6H2,(H,19,20)(H2,16,17,18)
InChIKeyFQZDRSVAUCMEAD-UHFFFAOYSA-N
XLogP1.60
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-difluorocyclohexyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanesulfonamide
CID 128579733
N-(1-cyclohexyl-2-oxopiperidin-3-yl)-1-(2,2-difluorocyclohexyl)methanesulfonamide
CID 128576960
2-[(2,2-difluorocyclopentyl)methylsulfonylamino]-3-methylbutanoic acid
CID 122067771
2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide
CID 150982551
1-[(2,2-difluorocyclohexyl)methylsulfonyl]-3-methylsulfonylazetidine
CID 136546461
N-[(2,2-difluorocyclohexyl)methyl]-4-(2-methylsulfonylethyl)aniline
CID 167858346
2-(2,2-difluorocyclopentyl)ethanesulfonamide
CID 165486158
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
(2-formyl-4,5-dimethoxyphenyl) (2,2-difluorocyclohexyl)methanesulfonate
CID 154864543
2-chloro-N-(cyclopropylmethylsulfonyl)-3-fluorobenzamide
CID 75494405
2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol
CID 166481650

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide (CID 167897380) is 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide is Nc1cc(C(=O)NS(=O)(=O)CC2CCCCC2(F)F)nc(Cl)n1.
What is the InChIKey of 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide?
The InChIKey is FQZDRSVAUCMEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N4O3S/c13-11-17-8(5-9(16)18-11)10(20)19-23(21,22)6-7-3-1-2-4-12(7,14)15/h5,7H,1-4,6H2,(H,19,20)(H2,16,17,18).
What are the key properties of 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide?
6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide has a molecular weight of 368.79 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-N-[(2,2-difluorocyclohexyl)methylsulfonyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 167897380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).