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

C21H24N4 — CID 112915922

IUPAC6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2ccccc2)nc(NCc2ccccc2C)n1
InChIInChI=1S/C21H24N4/c1-15-9-7-8-12-19(15)14-22-21-23-16(2)13-20(25-21)24-17(3)18-10-5-4-6-11-18/h4-13,17H,14H2,1-3H3,(H2,22,23,24,25)
InChIKeySQKBYOPPLVIAEE-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.88
Rot. Bonds6

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

6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112915922) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112915922
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2ccccc2)nc(NCc2ccccc2C)n1
InChIInChI=1S/C21H24N4/c1-15-9-7-8-12-19(15)14-22-21-23-16(2)13-20(25-21)24-17(3)18-10-5-4-6-11-18/h4-13,17H,14H2,1-3H3,(H2,22,23,24,25)
InChIKeySQKBYOPPLVIAEE-UHFFFAOYSA-N
XLogP4.88
TPSA49.84 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 ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948033
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915976
2-N-butan-2-yl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112909057
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
2-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916618
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915986
6-methyl-4-N-[(2-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915782
6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916762
2-N-(3-chloro-4-methylphenyl)-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916687
4-N-(2-ethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916817

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 112915922) is 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine is Cc1cc(NC(C)c2ccccc2)nc(NCc2ccccc2C)n1.
What is the InChIKey of 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is SQKBYOPPLVIAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-9-7-8-12-19(15)14-22-21-23-16(2)13-20(25-21)24-17(3)18-10-5-4-6-11-18/h4-13,17H,14H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112915922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).