2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine

C21H24N4 — CID 112894129

IUPAC2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccc(Nc2ccnc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4/c1-16(2)18-8-10-19(11-9-18)24-20-13-15-23-21(25-20)22-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyOELRUYOSWRZALZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.00
Rot. Bonds7

About 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine

2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112894129) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112894129
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccc(Nc2ccnc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4/c1-16(2)18-8-10-19(11-9-18)24-20-13-15-23-21(25-20)22-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyOELRUYOSWRZALZ-UHFFFAOYSA-N
XLogP5.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361
4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899388
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894171
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112901452
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901462
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547784

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112894129) is 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine is CC(C)c1ccc(Nc2ccnc(NCCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is OELRUYOSWRZALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-16(2)18-8-10-19(11-9-18)24-20-13-15-23-21(25-20)22-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112894129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).