5-amino-1-(3-hydroxypropyl)pyrimidin-4-one

C7H11N3O2 — CID 115114220

IUPAC5-amino-1-(3-hydroxypropyl)pyrimidin-4-one
SMILESNc1cn(CCCO)cnc1=O
InChIInChI=1S/C7H11N3O2/c8-6-4-10(2-1-3-11)5-9-7(6)12/h4-5,11H,1-3,8H2
InChIKeyPSBFQXOHZLXHAG-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.79
Rot. Bonds3

About 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one

5-amino-1-(3-hydroxypropyl)pyrimidin-4-one (PubChem CID 115114220) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(3-hydroxypropyl)pyrimidin-4-one
PubChem CID115114220
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-amino-1-(3-hydroxypropyl)pyrimidin-4-one
SMILESNc1cn(CCCO)cnc1=O
InChIInChI=1S/C7H11N3O2/c8-6-4-10(2-1-3-11)5-9-7(6)12/h4-5,11H,1-3,8H2
InChIKeyPSBFQXOHZLXHAG-UHFFFAOYSA-N
XLogP-0.79
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-3-(2-hydroxyethyl)pyrimidin-4-one
CID 138585471
2-Amino-1-(3-hydroxypropyl)pyrimidin-4-one
CID 163296269
5-Amino-1-(3-methoxypropyl)pyrimidin-4-one
CID 115114221
5-Amino-1-(2-hydroxyethyl)pyrimidin-4-one
CID 115114226

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one (CID 115114220) is 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one is Nc1cn(CCCO)cnc1=O.
What is the InChIKey of 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one?
The InChIKey is PSBFQXOHZLXHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6-4-10(2-1-3-11)5-9-7(6)12/h4-5,11H,1-3,8H2.
What are the key properties of 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one?
5-amino-1-(3-hydroxypropyl)pyrimidin-4-one has a molecular weight of 169.18 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 115114220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).