N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

C14H21N3OS — CID 64593244

IUPACN-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NC1CCCCC1
InChIInChI=1S/C14H21N3OS/c1-9-12(14(19-3)16-10(2)15-9)13(18)17-11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,17,18)
InChIKeyRVZRFQXCDBBHHN-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.88
Rot. Bonds3

About N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 64593244) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID64593244
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NC1CCCCC1
InChIInChI=1S/C14H21N3OS/c1-9-12(14(19-3)16-10(2)15-9)13(18)17-11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,17,18)
InChIKeyRVZRFQXCDBBHHN-UHFFFAOYSA-N
XLogP2.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
N-cyclohexyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911212
N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136890080
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 64591148
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
CID 607051
(2S)-1-(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136834
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 97001875
S-methyl N-cyclohexylcarbamothioate
CID 3710575

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (CID 64593244) is N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(C)nc(C)c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is RVZRFQXCDBBHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-12(14(19-3)16-10(2)15-9)13(18)17-11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 64593244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).