2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine

C13H24N4O — CID 114151108

IUPAC2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
SMILESCC(CN)CCCNc1nccc(OC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)18-12-6-8-16-13(17-12)15-7-4-5-11(3)9-14/h6,8,10-11H,4-5,7,9,14H2,1-3H3,(H,15,16,17)
InChIKeyWBDPUIRTDXUUMC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.05
Rot. Bonds8

About 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine

2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine (PubChem CID 114151108) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
PubChem CID114151108
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
SMILESCC(CN)CCCNc1nccc(OC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)18-12-6-8-16-13(17-12)15-7-4-5-11(3)9-14/h6,8,10-11H,4-5,7,9,14H2,1-3H3,(H,15,16,17)
InChIKeyWBDPUIRTDXUUMC-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine 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

N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114537660
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975353
2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 114384250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine (CID 114151108) is 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine is CC(CN)CCCNc1nccc(OC(C)C)n1.
What is the InChIKey of 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
The InChIKey is WBDPUIRTDXUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)18-12-6-8-16-13(17-12)15-7-4-5-11(3)9-14/h6,8,10-11H,4-5,7,9,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 114151108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).