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

C10H18N4O3 — CID 136764975

IUPAC5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyYXTJLWWZVQWWSF-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.18
Rot. Bonds8

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

5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764975) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764975
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyYXTJLWWZVQWWSF-UHFFFAOYSA-N
XLogP-0.18
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-4-[3-(2-methoxyethoxy)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-2-(3-ethoxypropylamino)-1H-pyrimidin-6-one
CID 70584840
5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241435
5-amino-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586395
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696626
5-amino-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730525
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764966
4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764971
5-amino-4-[(3-hydroxy-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805766

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136764975) is 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is COCCOCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is YXTJLWWZVQWWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of -0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).