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

C13H19N3O2 — CID 136857176

IUPAC2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C13H19N3O2/c1-8-6-10(4-5-18-8)14-11-7-12(17)16-13(15-11)9-2-3-9/h7-10H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyPPLBBETYBBWAMF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds3

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

2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136857176) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136857176
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C13H19N3O2/c1-8-6-10(4-5-18-8)14-11-7-12(17)16-13(15-11)9-2-3-9/h7-10H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyPPLBBETYBBWAMF-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one (CID 136857176) is 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one is CC1CC(Nc2cc(=O)[nH]c(C3CC3)n2)CCO1.
What is the InChIKey of 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is PPLBBETYBBWAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-6-10(4-5-18-8)14-11-7-12(17)16-13(15-11)9-2-3-9/h7-10H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).