4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine

C18H26N4 — CID 112925498

IUPAC4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1nc(C)cc(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C18H26N4/c1-4-6-7-12-19-18-20-14(3)13-17(22-18)21-16-10-8-15(5-2)9-11-16/h8-11,13H,4-7,12H2,1-3H3,(H2,19,20,21,22)
InChIKeyPDXVJUGVSACRRG-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.69
Rot. Bonds8

About 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine

4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine (PubChem CID 112925498) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
PubChem CID112925498
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1nc(C)cc(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C18H26N4/c1-4-6-7-12-19-18-20-14(3)13-17(22-18)21-16-10-8-15(5-2)9-11-16/h8-11,13H,4-7,12H2,1-3H3,(H2,19,20,21,22)
InChIKeyPDXVJUGVSACRRG-UHFFFAOYSA-N
XLogP4.69
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
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
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922586
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
2-N-(4-bromophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928671
6-methyl-2-N-pentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112925562
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925569
2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900354

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine (CID 112925498) is 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine is CCCCCNc1nc(C)cc(Nc2ccc(CC)cc2)n1.
What is the InChIKey of 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine?
The InChIKey is PDXVJUGVSACRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-6-7-12-19-18-20-14(3)13-17(22-18)21-16-10-8-15(5-2)9-11-16/h8-11,13H,4-7,12H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine?
4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).