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

C7H11N3O3 — CID 167063051

IUPAC2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one
SMILESNc1nc(=O)ccn1C[C@@H](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)/t5-/m1/s1
InChIKeyKAJYILDLOCPTGK-RXMQYKEDSA-N
MW185.18 g/mol
LogP-1.82
Rot. Bonds3

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

2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one (PubChem CID 167063051) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one
PubChem CID167063051
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one
SMILESNc1nc(=O)ccn1C[C@@H](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)/t5-/m1/s1
InChIKeyKAJYILDLOCPTGK-RXMQYKEDSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one?
The IUPAC name of 2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one (CID 167063051) is 2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one.
What is the SMILES notation for 2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one?
The canonical SMILES for 2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one is Nc1nc(=O)ccn1C[C@@H](O)CO.
What is the InChIKey of 2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one?
The InChIKey is KAJYILDLOCPTGK-RXMQYKEDSA-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)/t5-/m1/s1.
What are the key properties of 2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one?
2-amino-1-[(2R)-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-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one is sourced from PubChem (CID 167063051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).