2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one

C9H12N4O3 — CID 136697579

IUPAC2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one
SMILESNc1nc(C2CN(C(=O)CO)C2)cc(=O)[nH]1
InChIInChI=1S/C9H12N4O3/c10-9-11-6(1-7(15)12-9)5-2-13(3-5)8(16)4-14/h1,5,14H,2-4H2,(H3,10,11,12,15)
InChIKeyZHTUXAHDMRWDQJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.73
Rot. Bonds2

About 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one

2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136697579) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136697579
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one
SMILESNc1nc(C2CN(C(=O)CO)C2)cc(=O)[nH]1
InChIInChI=1S/C9H12N4O3/c10-9-11-6(1-7(15)12-9)5-2-13(3-5)8(16)4-14/h1,5,14H,2-4H2,(H3,10,11,12,15)
InChIKeyZHTUXAHDMRWDQJ-UHFFFAOYSA-N
XLogP-1.73
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[1-[(E)-4-(2-fluorophenyl)but-3-enoyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 167881673
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136662521
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 136665222
2-amino-4-[[[(3R)-1-(2-cyclohexyloxyacetyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 137179542
2-amino-4-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137247997
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
CID 136664973
2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one
CID 136697560
3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-2-benzylpiperidine-1-carboxylate
CID 135581558
2-[1-(2-methoxyacetyl)piperidin-4-yl]-4-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 137090424
2-[1-(2-methoxyacetyl)piperidin-4-yl]-4-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136899488
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 136665174
2-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-1H-pyrimidin-6-one
CID 135406826

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one (CID 136697579) is 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one is Nc1nc(C2CN(C(=O)CO)C2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is ZHTUXAHDMRWDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-9-11-6(1-7(15)12-9)5-2-13(3-5)8(16)4-14/h1,5,14H,2-4H2,(H3,10,11,12,15).
What are the key properties of 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one?
2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 224.22 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136697579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).