2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one

C12H19N3O2S — CID 136901141

IUPAC2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCSC(CO)C(C)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-7(9(6-16)18-2)13-10-5-11(17)15-12(14-10)8-3-4-8/h5,7-9,16H,3-4,6H2,1-2H3,(H2,13,14,15,17)
InChIKeyVWFINLLSERCWKG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.17
Rot. Bonds6

About 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136901141) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136901141
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCSC(CO)C(C)Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-7(9(6-16)18-2)13-10-5-11(17)15-12(14-10)8-3-4-8/h5,7-9,16H,3-4,6H2,1-2H3,(H2,13,14,15,17)
InChIKeyVWFINLLSERCWKG-UHFFFAOYSA-N
XLogP1.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136901141) is 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one is CSC(CO)C(C)Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VWFINLLSERCWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(9(6-16)18-2)13-10-5-11(17)15-12(14-10)8-3-4-8/h5,7-9,16H,3-4,6H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 269.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136901141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).