6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

C14H21N3O2S — CID 97001875

IUPAC6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C14H21N3O2S/c1-8-6-4-5-7-10(8)16-12(18)11-9(2)15-14(19)17-13(11)20-3/h8,10H,4-7H2,1-3H3,(H,16,18)(H,15,17,19)/t8-,10-/m1/s1
InChIKeyDDNSULWUDKNDDH-PSASIEDQSA-N
MW295.41 g/mol
LogP2.11
Rot. Bonds3

About 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97001875) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97001875
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C14H21N3O2S/c1-8-6-4-5-7-10(8)16-12(18)11-9(2)15-14(19)17-13(11)20-3/h8,10H,4-7H2,1-3H3,(H,16,18)(H,15,17,19)/t8-,10-/m1/s1
InChIKeyDDNSULWUDKNDDH-PSASIEDQSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812471
N-cyclopentyloxy-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 83217255
(2S)-1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 66264823
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 102785360
N-[(4-hydroxyoxan-4-yl)methyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79490169
ethyl 3,5-dimethyl-4-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-1H-pyrrole-2-carboxylate
CID 40516725
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79487205
N-(3-hydroxy-2-methylpropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 65037506
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
5-chloro-N-[(1R,2S)-2-methylcyclohexyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51928172
5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide
CID 22518253
2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid
CID 79457503

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 97001875) is 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DDNSULWUDKNDDH-PSASIEDQSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8-6-4-5-7-10(8)16-12(18)11-9(2)15-14(19)17-13(11)20-3/h8,10H,4-7H2,1-3H3,(H,16,18)(H,15,17,19)/t8-,10-/m1/s1.
What are the key properties of 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97001875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).