1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one

C10H17N3O2 — CID 43165932

IUPAC1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one
SMILESCCCNCC(O)Cn1cccnc1=O
InChIInChI=1S/C10H17N3O2/c1-2-4-11-7-9(14)8-13-6-3-5-12-10(13)15/h3,5-6,9,11,14H,2,4,7-8H2,1H3
InChIKeyPIYSFQSHYLPFJP-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.40
Rot. Bonds6

About 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one

1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one (PubChem CID 43165932) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one
PubChem CID43165932
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one
SMILESCCCNCC(O)Cn1cccnc1=O
InChIInChI=1S/C10H17N3O2/c1-2-4-11-7-9(14)8-13-6-3-5-12-10(13)15/h3,5-6,9,11,14H,2,4,7-8H2,1H3
InChIKeyPIYSFQSHYLPFJP-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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Related Compounds

N-2-hydroxypropyl-pyrimidinone
CID 60878763
N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide
CID 158640583
(2S)-1-(diethylamino)-3-[(prop-2-enylideneamino)methylamino]propan-2-ol
CID 173544370
1-(3-Amino-2-hydroxypropyl)pyrimidin-2-one
CID 16784985
1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one
CID 30077824
1-[3-(Cyclopropylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165930
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-2-one
CID 43165931
1-[3-(Ethylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165933
1-[2-Hydroxy-3-(methylamino)propyl]pyrimidin-2-one
CID 43187947
N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428137
1-(2-Hydroxybutyl)pyrimidin-2-one
CID 60878764
1-[4-(2-Methoxyethylamino)butyl]pyrimidin-2-one
CID 62562941

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one (CID 43165932) is 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one is CCCNCC(O)Cn1cccnc1=O.
What is the InChIKey of 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one?
The InChIKey is PIYSFQSHYLPFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-4-11-7-9(14)8-13-6-3-5-12-10(13)15/h3,5-6,9,11,14H,2,4,7-8H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one?
1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-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 1-[2-hydroxy-3-(propylamino)propyl]pyrimidin-2-one is sourced from PubChem (CID 43165932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).