6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

C21H24N4 — CID 112916763

IUPAC6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-16-15-20(22-14-13-18-9-5-3-6-10-18)25-21(23-16)24-17(2)19-11-7-4-8-12-19/h3-12,15,17H,13-14H2,1-2H3,(H2,22,23,24,25)
InChIKeyKLHWXLCDFFBZKR-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.61
Rot. Bonds7

About 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112916763) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112916763
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-16-15-20(22-14-13-18-9-5-3-6-10-18)25-21(23-16)24-17(2)19-11-7-4-8-12-19/h3-12,15,17H,13-14H2,1-2H3,(H2,22,23,24,25)
InChIKeyKLHWXLCDFFBZKR-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916769
3-N-(1-phenylethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949051
4-N-(3-methoxypropyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112911706
6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916762
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
3-N-(1-phenylethyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112949082
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920094
6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919252
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112916763) is 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is Cc1cc(NCCc2ccccc2)nc(NC(C)c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is KLHWXLCDFFBZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-16-15-20(22-14-13-18-9-5-3-6-10-18)25-21(23-16)24-17(2)19-11-7-4-8-12-19/h3-12,15,17H,13-14H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112916763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).