2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80831566

IUPAC2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCC(C)C)nc(C)n1
InChIInChI=1S/C14H26N4/c1-5-8-15-13-10-14(18-12(4)17-13)16-9-6-7-11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyQAIGHKLHTQIHFV-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.46
Rot. Bonds8

About 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine

2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80831566) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80831566
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCC(C)C)nc(C)n1
InChIInChI=1S/C14H26N4/c1-5-8-15-13-10-14(18-12(4)17-13)16-9-6-7-11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyQAIGHKLHTQIHFV-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-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

2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431
6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818952
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269253
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine (CID 80831566) is 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCCC(C)C)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is QAIGHKLHTQIHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-8-15-13-10-14(18-12(4)17-13)16-9-6-7-11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80831566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).