4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one

C9H15N3O3 — CID 136730527

IUPAC4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOCCO)nc[nH]1
InChIInChI=1S/C9H15N3O3/c13-3-5-15-4-1-2-10-8-6-9(14)12-7-11-8/h6-7,13H,1-5H2,(H2,10,11,12,14)
InChIKeyGPJJWJLTTZSHLB-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.42
Rot. Bonds7

About 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one

4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136730527) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136730527
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOCCO)nc[nH]1
InChIInChI=1S/C9H15N3O3/c13-3-5-15-4-1-2-10-8-6-9(14)12-7-11-8/h6-7,13H,1-5H2,(H2,10,11,12,14)
InChIKeyGPJJWJLTTZSHLB-UHFFFAOYSA-N
XLogP-0.42
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one
CID 135547020
2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730522
5-bromo-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730524
5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730525
4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136730526
4-[3-(2-hydroxyethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730528
5-chloro-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730529
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764971
4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772474
4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805771

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136730527) is 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one is O=c1cc(NCCCOCCO)nc[nH]1.
What is the InChIKey of 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is GPJJWJLTTZSHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c13-3-5-15-4-1-2-10-8-6-9(14)12-7-11-8/h6-7,13H,1-5H2,(H2,10,11,12,14).
What are the key properties of 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).