5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one

C7H10N4O2 — CID 136979668

IUPAC5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CC(O)C2)nc[nH]c1=O
InChIInChI=1S/C7H10N4O2/c8-5-6(9-3-10-7(5)13)11-1-4(12)2-11/h3-4,12H,1-2,8H2,(H,9,10,13)
InChIKeyPWVAAXDPXONVNH-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.47
Rot. Bonds1

About 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136979668) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136979668
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CC(O)C2)nc[nH]c1=O
InChIInChI=1S/C7H10N4O2/c8-5-6(9-3-10-7(5)13)11-1-4(12)2-11/h3-4,12H,1-2,8H2,(H,9,10,13)
InChIKeyPWVAAXDPXONVNH-UHFFFAOYSA-N
XLogP-1.47
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790778
5-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790789
2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
5-amino-4-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 135568293
5-Amino-6-((2-hydroxyethyl)amino)pyrimidin-4(3H)-one
CID 136271508
5-amino-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827311
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849661
5-amino-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900934
5-amino-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136900943
5-amino-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973945
5-amino-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 136976241
5-amino-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977251

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one (CID 136979668) is 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one is Nc1c(N2CC(O)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PWVAAXDPXONVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-5-6(9-3-10-7(5)13)11-1-4(12)2-11/h3-4,12H,1-2,8H2,(H,9,10,13).
What are the key properties of 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 182.18 g/mol, XLogP of -1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136979668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).