2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one

C7H11N3O3 — CID 163296378

IUPAC2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESNc1nc(=O)ccn1CC(O)CO
InChIInChI=1S/C7H11N3O3/c8-7-9-6(13)1-2-10(7)3-5(12)4-11/h1-2,5,11-12H,3-4H2,(H2,8,9,13)
InChIKeyKAJYILDLOCPTGK-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.82
Rot. Bonds3

About 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one

2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one (PubChem CID 163296378) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one
PubChem CID163296378
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESNc1nc(=O)ccn1CC(O)CO
InChIInChI=1S/C7H11N3O3/c8-7-9-6(13)1-2-10(7)3-5(12)4-11/h1-2,5,11-12H,3-4H2,(H2,8,9,13)
InChIKeyKAJYILDLOCPTGK-UHFFFAOYSA-N
XLogP-1.82
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 153365611
2-Amino-1-(2-hydroxyethyl)pyrimidin-4-one
CID 153365646
2-Amino-1-(2,3-dimethoxypropyl)pyrimidin-4-one
CID 153365654
N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 158509980
2-Amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol
CID 163296268
2-Amino-1-(3-hydroxypropyl)pyrimidin-4-one
CID 163296269
2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063051
2-amino-1-[(2S)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063085
[(2S)-1-(2-amino-4-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl] methyl hydrogen phosphate
CID 167307795
2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one
CID 169242772
2-Amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one
CID 170584823
2-Amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 170585250

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one?
The IUPAC name of 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one (CID 163296378) is 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one is Nc1nc(=O)ccn1CC(O)CO.
What is the InChIKey of 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one?
The InChIKey is KAJYILDLOCPTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-7-9-6(13)1-2-10(7)3-5(12)4-11/h1-2,5,11-12H,3-4H2,(H2,8,9,13).
What are the key properties of 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one?
2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one has a molecular weight of 185.18 g/mol, XLogP of -1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 163296378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).