2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one

C18H28N4O2S — CID 136738172

IUPAC2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCCN(C3CCCC3)CC2)n1
InChIInChI=1S/C18H28N4O2S/c1-13-12-16(23)20-18(19-13)25-14(2)17(24)22-9-5-8-21(10-11-22)15-6-3-4-7-15/h12,14-15H,3-11H2,1-2H3,(H,19,20,23)/t14-/m1/s1
InChIKeyGILHGFLIVZUYIR-CQSZACIVSA-N
MW364.52 g/mol
LogP2.04
Rot. Bonds4

About 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one

2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136738172) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136738172
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCCN(C3CCCC3)CC2)n1
InChIInChI=1S/C18H28N4O2S/c1-13-12-16(23)20-18(19-13)25-14(2)17(24)22-9-5-8-21(10-11-22)15-6-3-4-7-15/h12,14-15H,3-11H2,1-2H3,(H,19,20,23)/t14-/m1/s1
InChIKeyGILHGFLIVZUYIR-CQSZACIVSA-N
XLogP2.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-2-[(2S)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 137124825
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-one
CID 154746227
3-ethyl-8-[(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 136738174
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137058231
(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-prop-2-enylsulfanylpropan-1-one
CID 95397603
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
CID 137098613
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 17405667
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119871606
3-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 8889948

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 136738172) is 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCCN(C3CCCC3)CC2)n1.
What is the InChIKey of 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GILHGFLIVZUYIR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-13-12-16(23)20-18(19-13)25-14(2)17(24)22-9-5-8-21(10-11-22)15-6-3-4-7-15/h12,14-15H,3-11H2,1-2H3,(H,19,20,23)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 364.52 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136738172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).