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

C13H19N3O3 — CID 136675578

IUPAC2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-8-13(18,4-5-19-8)7-14-10-6-11(17)16-12(15-10)9-2-3-9/h6,8-9,18H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyZPJXDXKRANUFKQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.60
Rot. Bonds4

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

2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136675578) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136675578
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(O)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-8-13(18,4-5-19-8)7-14-10-6-11(17)16-12(15-10)9-2-3-9/h6,8-9,18H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyZPJXDXKRANUFKQ-UHFFFAOYSA-N
XLogP0.60
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.60
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-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136675578) is 2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CC1OCCC1(O)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZPJXDXKRANUFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-13(18,4-5-19-8)7-14-10-6-11(17)16-12(15-10)9-2-3-9/h6,8-9,18H,2-5,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.60, 4 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-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136675578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).