(2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

C18H27N5OS — CID 51952067

IUPAC(2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1nc2nc(S[C@H](C)C(=O)NCC3CCCCC3)nn2c(C)c1C
InChIInChI=1S/C18H27N5OS/c1-11-12(2)20-17-21-18(22-23(17)13(11)3)25-14(4)16(24)19-10-15-8-6-5-7-9-15/h14-15H,5-10H2,1-4H3,(H,19,24)/t14-/m1/s1
InChIKeyRAJCTOLIXSXJDN-CQSZACIVSA-N
MW361.52 g/mol
LogP3.23
Rot. Bonds5

About (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

(2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 51952067) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID51952067
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1nc2nc(S[C@H](C)C(=O)NCC3CCCCC3)nn2c(C)c1C
InChIInChI=1S/C18H27N5OS/c1-11-12(2)20-17-21-18(22-23(17)13(11)3)25-14(4)16(24)19-10-15-8-6-5-7-9-15/h14-15H,5-10H2,1-4H3,(H,19,24)/t14-/m1/s1
InChIKeyRAJCTOLIXSXJDN-CQSZACIVSA-N
XLogP3.23
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 51952068
(2R)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 98679201
(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 7491538
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 9274136
(2S)-N-(3-fluoro-4-methylphenyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 51952089
N-(cyclohexylmethyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46692270
N-(2-chloro-4-fluorophenyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 55866120
1-(4-ethylphenyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one
CID 55737554
(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 27140282
(2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 51952063
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262938
N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 17444408

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (CID 51952067) is (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is Cc1nc2nc(S[C@H](C)C(=O)NCC3CCCCC3)nn2c(C)c1C.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is RAJCTOLIXSXJDN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-11-12(2)20-17-21-18(22-23(17)13(11)3)25-14(4)16(24)19-10-15-8-6-5-7-9-15/h14-15H,5-10H2,1-4H3,(H,19,24)/t14-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
(2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 361.52 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 51952067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).