4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

C22H26N4 — CID 112924421

IUPAC4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2cc(C)nc(NCCCc3ccccc3)n2)c1
InChIInChI=1S/C22H26N4/c1-16-12-17(2)14-20(13-16)25-21-15-18(3)24-22(26-21)23-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-15H,7,10-11H2,1-3H3,(H2,23,24,25,26)
InChIKeyJPMYROLJTYKHCG-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.19
Rot. Bonds7

About 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112924421) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112924421
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2cc(C)nc(NCCCc3ccccc3)n2)c1
InChIInChI=1S/C22H26N4/c1-16-12-17(2)14-20(13-16)25-21-15-18(3)24-22(26-21)23-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-15H,7,10-11H2,1-3H3,(H2,23,24,25,26)
InChIKeyJPMYROLJTYKHCG-UHFFFAOYSA-N
XLogP5.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.19
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-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924413
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924464
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
methyl 3-[[6-methyl-2-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112924455
3-N-(3,5-dimethylphenyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958457
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924439
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112924421) is 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2cc(C)nc(NCCCc3ccccc3)n2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is JPMYROLJTYKHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-16-12-17(2)14-20(13-16)25-21-15-18(3)24-22(26-21)23-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-15H,7,10-11H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).