4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C13H24N4O — CID 136755774

IUPAC4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCCCCN)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-10(2)13-16-11(9-12(18)17-13)15-8-6-4-3-5-7-14/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyQIUBWLKXPZMHFB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.82
Rot. Bonds8

About 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136755774) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136755774
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCCCCN)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-10(2)13-16-11(9-12(18)17-13)15-8-6-4-3-5-7-14/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyQIUBWLKXPZMHFB-UHFFFAOYSA-N
XLogP1.82
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(6-aminohexylamino)-2-propan-2-yl-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

2-propan-2-yl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973715
2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975606
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
2-propan-2-yl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 137016591
4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137273012
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
1-(2-methylpropyl)-6-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrimidine-2,4-dione
CID 102591546

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136755774) is 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCCCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QIUBWLKXPZMHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)13-16-11(9-12(18)17-13)15-8-6-4-3-5-7-14/h9-10H,3-8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136755774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).