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

C12H19N3O3 — CID 136805774

IUPAC2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O3/c1-18-7-9(16)4-5-13-10-6-11(17)15-12(14-10)8-2-3-8/h6,8-9,16H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyGIDVXAFAPDNQOD-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.46
Rot. Bonds7

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

2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805774) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
PubChem CID136805774
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H19N3O3/c1-18-7-9(16)4-5-13-10-6-11(17)15-12(14-10)8-2-3-8/h6,8-9,16H,2-5,7H2,1H3,(H2,13,14,15,17)
InChIKeyGIDVXAFAPDNQOD-UHFFFAOYSA-N
XLogP0.46
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one (CID 136805774) is 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one is COCC(O)CCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GIDVXAFAPDNQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-18-7-9(16)4-5-13-10-6-11(17)15-12(14-10)8-2-3-8/h6,8-9,16H,2-5,7H2,1H3,(H2,13,14,15,17).
What are the key properties of 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).