4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one

C8H12N4O2 — CID 136978525

IUPAC4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CNC2)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-14-6-7(10-4-11-8(6)13)12-5-2-9-3-5/h4-5,9H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyXLRXATFFVIUDMN-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.84
Rot. Bonds3

About 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one

4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136978525) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136978525
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CNC2)nc[nH]c1=O
InChIInChI=1S/C8H12N4O2/c1-14-6-7(10-4-11-8(6)13)12-5-2-9-3-5/h4-5,9H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyXLRXATFFVIUDMN-UHFFFAOYSA-N
XLogP-0.84
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(azetidin-3-ylamino)-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

Related Compounds

4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977554
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 137007750
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137016550
4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976362
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136974402
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136978525) is 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2CNC2)nc[nH]c1=O.
What is the InChIKey of 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XLRXATFFVIUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-14-6-7(10-4-11-8(6)13)12-5-2-9-3-5/h4-5,9H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136978525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).