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

C12H17N3O2 — CID 136977165

IUPAC2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOC1
InChIInChI=1S/C12H17N3O2/c1-12(4-5-17-7-12)15-9-6-10(16)14-11(13-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16)
InChIKeyWTOQJONFFDJPLN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.24
Rot. Bonds3

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

2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136977165) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136977165
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOC1
InChIInChI=1S/C12H17N3O2/c1-12(4-5-17-7-12)15-9-6-10(16)14-11(13-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16)
InChIKeyWTOQJONFFDJPLN-UHFFFAOYSA-N
XLogP1.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136977165) is 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is CC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOC1.
What is the InChIKey of 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WTOQJONFFDJPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(4-5-17-7-12)15-9-6-10(16)14-11(13-9)8-2-3-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).