4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C10H16N4O2 — CID 136869164

IUPAC4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(N)CCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-16-7-8(13-6-14-9(7)15)12-5-10(11)3-2-4-10/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyLQVWRFCOAYGGND-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.07
Rot. Bonds4

About 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136869164) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136869164
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(N)CCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-16-7-8(13-6-14-9(7)15)12-5-10(11)3-2-4-10/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyLQVWRFCOAYGGND-UHFFFAOYSA-N
XLogP0.07
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-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 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136869164) is 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(N)CCC2)nc[nH]c1=O.
What is the InChIKey of 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is LQVWRFCOAYGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-7-8(13-6-14-9(7)15)12-5-10(11)3-2-4-10/h6H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136869164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).