2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136976582

IUPAC2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-8-13-9(5-10(16)14-8)12-6-11(7-15)3-4-11/h5,15H,2-4,6-7H2,1H3,(H2,12,13,14,16)
InChIKeyHXOIQJQXORXNIK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.52
Rot. Bonds5

About 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136976582) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136976582
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-8-13-9(5-10(16)14-8)12-6-11(7-15)3-4-11/h5,15H,2-4,6-7H2,1H3,(H2,12,13,14,16)
InChIKeyHXOIQJQXORXNIK-UHFFFAOYSA-N
XLogP0.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136976582) is 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is CCc1nc(NCC2(CO)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is HXOIQJQXORXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-8-13-9(5-10(16)14-8)12-6-11(7-15)3-4-11/h5,15H,2-4,6-7H2,1H3,(H2,12,13,14,16).
What are the key properties of 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).