6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine

C16H22N4 — CID 112925484

IUPAC6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCCCCNc1nc(C)cc(Nc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-3-4-8-11-17-16-18-13(2)12-15(20-16)19-14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyCDCAFWLYPXUMCL-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.13
Rot. Bonds7

About 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine

6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112925484) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112925484
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCCCCNc1nc(C)cc(Nc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-3-4-8-11-17-16-18-13(2)12-15(20-16)19-14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyCDCAFWLYPXUMCL-UHFFFAOYSA-N
XLogP4.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-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

4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925498
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925569
6-methyl-2-N-pentyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112925545
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
2-[[6-methyl-2-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112925575
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
6-methyl-2-N-pentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112925562

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine (CID 112925484) is 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine is CCCCCNc1nc(C)cc(Nc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is CDCAFWLYPXUMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-4-8-11-17-16-18-13(2)12-15(20-16)19-14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine?
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).