2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C12H13ClN4OS — CID 80978680

IUPAC2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCCCc1nc(Cl)c(C)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C12H13ClN4OS/c1-3-4-8-15-10(13)7(2)11(16-8)19-12-14-6-5-9(18)17-12/h5-6H,3-4H2,1-2H3,(H,14,17,18)
InChIKeyYXQNIEMDYMJENP-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.63
Rot. Bonds4

About 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 80978680) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID80978680
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCCCc1nc(Cl)c(C)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C12H13ClN4OS/c1-3-4-8-15-10(13)7(2)11(16-8)19-12-14-6-5-9(18)17-12/h5-6H,3-4H2,1-2H3,(H,14,17,18)
InChIKeyYXQNIEMDYMJENP-UHFFFAOYSA-N
XLogP2.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893952
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80893548
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761278
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761277
2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925999
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 63728381
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 79734047
2-(6-amino-5-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80893151
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80970894
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525
2-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 81000545

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 80978680) is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is CCCc1nc(Cl)c(C)c(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is YXQNIEMDYMJENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-3-4-8-15-10(13)7(2)11(16-8)19-12-14-6-5-9(18)17-12/h5-6H,3-4H2,1-2H3,(H,14,17,18).
What are the key properties of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 296.78 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80978680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).