4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine

C20H22N4 — CID 112861082

IUPAC4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(C)c(Nc2cc(NCCc3ccccc3)ncn2)c1
InChIInChI=1S/C20H22N4/c1-15-8-9-16(2)18(12-15)24-20-13-19(22-14-23-20)21-11-10-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyCSQZEQIUHBEJBI-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.49
Rot. Bonds6

About 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine

4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112861082) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112861082
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(C)c(Nc2cc(NCCc3ccccc3)ncn2)c1
InChIInChI=1S/C20H22N4/c1-15-8-9-16(2)18(12-15)24-20-13-19(22-14-23-20)21-11-10-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyCSQZEQIUHBEJBI-UHFFFAOYSA-N
XLogP4.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
4-N-(2-bromo-4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861137
4-N-(2,5-dimethylphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861718
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865199
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333
6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 115416444

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (CID 112861082) is 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is Cc1ccc(C)c(Nc2cc(NCCc3ccccc3)ncn2)c1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is CSQZEQIUHBEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-8-9-16(2)18(12-15)24-20-13-19(22-14-23-20)21-11-10-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112861082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).