6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine

C22H26N4 — CID 174933873

IUPAC6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(-c2cc(NC(C)CCc3ccccc3)nc(N)n2)c1
InChIInChI=1S/C22H26N4/c1-15-11-16(2)13-19(12-15)20-14-21(26-22(23)25-20)24-17(3)9-10-18-7-5-4-6-8-18/h4-8,11-14,17H,9-10H2,1-3H3,(H3,23,24,25,26)
InChIKeyNZGDWBHBVQCUOQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.78
Rot. Bonds6

About 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine

6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 174933873) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID174933873
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(-c2cc(NC(C)CCc3ccccc3)nc(N)n2)c1
InChIInChI=1S/C22H26N4/c1-15-11-16(2)13-19(12-15)20-14-21(26-22(23)25-20)24-17(3)9-10-18-7-5-4-6-8-18/h4-8,11-14,17H,9-10H2,1-3H3,(H3,23,24,25,26)
InChIKeyNZGDWBHBVQCUOQ-UHFFFAOYSA-N
XLogP4.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-4-N-[(2S)-4-phenylbutan-2-yl]pyrimidine-2,4-diamine
CID 124976944
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
6-hydrazinyl-N-(4-phenylbutan-2-yl)pyridin-2-amine
CID 80903512
2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
CID 80940320
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 63425771
4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 144972199
4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174775661
4-N-(4-aminobutyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174851741
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
CID 142806222

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine (CID 174933873) is 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine is Cc1cc(C)cc(-c2cc(NC(C)CCc3ccccc3)nc(N)n2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is NZGDWBHBVQCUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-15-11-16(2)13-19(12-15)20-14-21(26-22(23)25-20)24-17(3)9-10-18-7-5-4-6-8-18/h4-8,11-14,17H,9-10H2,1-3H3,(H3,23,24,25,26).
What are the key properties of 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine?
6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174933873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).