6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one

C16H22N4O3S — CID 50927767

IUPAC6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1cc2nc(SCC(=O)N3CCOCC3)n(C(C)C)c(=O)c2[nH]1
InChIInChI=1S/C16H22N4O3S/c1-10(2)20-15(22)14-12(8-11(3)17-14)18-16(20)24-9-13(21)19-4-6-23-7-5-19/h8,10,17H,4-7,9H2,1-3H3
InChIKeyKDRLWXUYJHLWFL-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.56
Rot. Bonds4

About 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one

6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 50927767) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID50927767
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1cc2nc(SCC(=O)N3CCOCC3)n(C(C)C)c(=O)c2[nH]1
InChIInChI=1S/C16H22N4O3S/c1-10(2)20-15(22)14-12(8-11(3)17-14)18-16(20)24-9-13(21)19-4-6-23-7-5-19/h8,10,17H,4-7,9H2,1-3H3
InChIKeyKDRLWXUYJHLWFL-UHFFFAOYSA-N
XLogP1.56
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

methyl 2-[(6-methyl-4-oxo-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
CID 95921087
2-[(6-methyl-4-oxo-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 50927092
3-[(2R)-butan-2-yl]-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95182633
6-methyl-3-(2-methylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 51364065
3-[(2R)-butan-2-yl]-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95182647
2-[(6-methyl-4-oxo-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 95185285
1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-7-propan-2-ylpurine-2,6-dione
CID 2967214
6-methyl-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-2-one
CID 7183942
2-[[3-[(2S)-butan-2-yl]-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N,N-diethylacetamide
CID 95182484
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 95185667
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 51369847
3-[(2R)-butan-2-yl]-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95182493

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one (CID 50927767) is 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one is Cc1cc2nc(SCC(=O)N3CCOCC3)n(C(C)C)c(=O)c2[nH]1.
What is the InChIKey of 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is KDRLWXUYJHLWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-10(2)20-15(22)14-12(8-11(3)17-14)18-16(20)24-9-13(21)19-4-6-23-7-5-19/h8,10,17H,4-7,9H2,1-3H3.
What are the key properties of 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 350.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 50927767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).