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

C9H14N4O2 — CID 135489794

IUPAC2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESNc1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c10-8-12-6(3-7(15)13-8)11-4-9(5-14)1-2-9/h3,14H,1-2,4-5H2,(H4,10,11,12,13,15)
InChIKeyQTIZFSVGPXWQLR-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.46
Rot. Bonds4

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

2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 135489794) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID135489794
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESNc1nc(NCC2(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c10-8-12-6(3-7(15)13-8)11-4-9(5-14)1-2-9/h3,14H,1-2,4-5H2,(H4,10,11,12,13,15)
InChIKeyQTIZFSVGPXWQLR-UHFFFAOYSA-N
XLogP-0.46
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-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

Related Compounds

2-Amino-6-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-4-pyrimidinol
CID 135460856
2-Amino-6-(4-hydroxybutylamino)pyrimidin-4-ol
CID 135474610
2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol
CID 135406826
2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol
CID 135489793
2,5-diamino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136067115
2-amino-4-[[2-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136197575
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136951260
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957000
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136957002
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one
CID 136957010
2-ethyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136976582
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016590

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 135489794) is 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is Nc1nc(NCC2(CO)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is QTIZFSVGPXWQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-12-6(3-7(15)13-8)11-4-9(5-14)1-2-9/h3,14H,1-2,4-5H2,(H4,10,11,12,13,15).
What are the key properties of 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135489794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).