5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one

C9H17N5O2 — CID 136730542

IUPAC5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
SMILESNCCOCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O2/c10-2-5-16-4-1-3-12-8-7(11)9(15)14-6-13-8/h6H,1-5,10-11H2,(H2,12,13,14,15)
InChIKeyOLZKDXJSUKLVBV-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.87
Rot. Bonds7

About 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one

5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136730542) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136730542
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
SMILESNCCOCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H17N5O2/c10-2-5-16-4-1-3-12-8-7(11)9(15)14-6-13-8/h6H,1-5,10-11H2,(H2,12,13,14,15)
InChIKeyOLZKDXJSUKLVBV-UHFFFAOYSA-N
XLogP-0.87
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-bromo-4-[3-(2-chloroethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730520
4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136689230
4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
5-amino-4-(4-imidazol-1-ylbutylamino)-1H-pyrimidin-6-one
CID 136975184
5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
CID 137012703
5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978128
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
5-amino-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975971

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one (CID 136730542) is 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one is NCCOCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is OLZKDXJSUKLVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c10-2-5-16-4-1-3-12-8-7(11)9(15)14-6-13-8/h6H,1-5,10-11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one?
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 227.27 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).