(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide

C18H29N3OS — CID 27140282

IUPAC(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)NCC2CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C18H29N3OS/c1-12(2)17-20-13(3)10-16(21-17)23-14(4)18(22)19-11-15-8-6-5-7-9-15/h10,12,14-15H,5-9,11H2,1-4H3,(H,19,22)/t14-/m1/s1
InChIKeyRWZXOSHVJNVBQS-CQSZACIVSA-N
MW335.52 g/mol
LogP4.09
Rot. Bonds6

About (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide

(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 27140282) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID27140282
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)NCC2CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C18H29N3OS/c1-12(2)17-20-13(3)10-16(21-17)23-14(4)18(22)19-11-15-8-6-5-7-9-15/h10,12,14-15H,5-9,11H2,1-4H3,(H,19,22)/t14-/m1/s1
InChIKeyRWZXOSHVJNVBQS-CQSZACIVSA-N
XLogP4.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 17417079
(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 41095797
N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 17444408
N-(cyclohexylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]propanamide
CID 56817049
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7624566
2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46645952
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262938
N-(cyclohexylmethyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46692270
(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7491538
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563
(2S)-N-(cyclohexylmethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7239979
(2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 51952067

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide (CID 27140282) is (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide is Cc1cc(S[C@H](C)C(=O)NCC2CCCCC2)nc(C(C)C)n1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is RWZXOSHVJNVBQS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-12(2)17-20-13(3)10-16(21-17)23-14(4)18(22)19-11-15-8-6-5-7-9-15/h10,12,14-15H,5-9,11H2,1-4H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide?
(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 335.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 27140282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).