3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one

C10H17N3O2 — CID 63768143

IUPAC3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNCC(O)Cn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-4-11-6-9(14)7-13-8-12-5-3-10(13)15/h3,5,8-9,11,14H,2,4,6-7H2,1H3
InChIKeyCXHOIPWTPGVQMP-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.40
Rot. Bonds6

About 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one

3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one (PubChem CID 63768143) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one
PubChem CID63768143
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNCC(O)Cn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-4-11-6-9(14)7-13-8-12-5-3-10(13)15/h3,5,8-9,11,14H,2,4,6-7H2,1H3
InChIKeyCXHOIPWTPGVQMP-UHFFFAOYSA-N
XLogP-0.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one (CID 63768143) is 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one is CCCNCC(O)Cn1cnccc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one?
The InChIKey is CXHOIPWTPGVQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-4-11-6-9(14)7-13-8-12-5-3-10(13)15/h3,5,8-9,11,14H,2,4,6-7H2,1H3.
What are the key properties of 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one?
3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 63768143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).