5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine

C21H24N4 — CID 69020793

IUPAC5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(CCc2cnc(N)nc2NC(C)c2ccccc2)cc1
InChIInChI=1S/C21H24N4/c1-15-8-10-17(11-9-15)12-13-19-14-23-21(22)25-20(19)24-16(2)18-6-4-3-5-7-18/h3-11,14,16H,12-13H2,1-2H3,(H3,22,23,24,25)
InChIKeyCFEHVXGKFZLBOJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.33
Rot. Bonds6

About 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine

5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 69020793) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
PubChem CID69020793
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(CCc2cnc(N)nc2NC(C)c2ccccc2)cc1
InChIInChI=1S/C21H24N4/c1-15-8-10-17(11-9-15)12-13-19-14-23-21(22)25-20(19)24-16(2)18-6-4-3-5-7-18/h3-11,14,16H,12-13H2,1-2H3,(H3,22,23,24,25)
InChIKeyCFEHVXGKFZLBOJ-UHFFFAOYSA-N
XLogP4.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 69020793) is 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine is Cc1ccc(CCc2cnc(N)nc2NC(C)c2ccccc2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is CFEHVXGKFZLBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-8-10-17(11-9-15)12-13-19-14-23-21(22)25-20(19)24-16(2)18-6-4-3-5-7-18/h3-11,14,16H,12-13H2,1-2H3,(H3,22,23,24,25).
What are the key properties of 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69020793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).