4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one

C10H18N4O2 — CID 136689847

IUPAC4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCCCN)nc[nH]c1=O
InChIInChI=1S/C10H18N4O2/c1-16-8-9(13-7-14-10(8)15)12-6-4-2-3-5-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyJKZOTPPCRVXOOQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds7

About 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one

4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136689847) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136689847
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCCCN)nc[nH]c1=O
InChIInChI=1S/C10H18N4O2/c1-16-8-9(13-7-14-10(8)15)12-6-4-2-3-5-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyJKZOTPPCRVXOOQ-UHFFFAOYSA-N
XLogP0.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(5-aminopentylamino)-5-methoxy-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-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
5-methoxy-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976591
5-methoxy-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976596
4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136979148
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137267632
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
5-methoxy-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586339
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136689847) is 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCCCCN)nc[nH]c1=O.
What is the InChIKey of 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JKZOTPPCRVXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-16-8-9(13-7-14-10(8)15)12-6-4-2-3-5-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136689847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).