4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

C21H24N4 — CID 112915986

IUPAC4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2cc(C)nc(NCc3ccccc3C)n2)c1
InChIInChI=1S/C21H24N4/c1-14-9-15(2)11-19(10-14)24-20-12-17(4)23-21(25-20)22-13-18-8-6-5-7-16(18)3/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyXVILGMOCICMNNX-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.07
Rot. Bonds5

About 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112915986) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112915986
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2cc(C)nc(NCc3ccccc3C)n2)c1
InChIInChI=1S/C21H24N4/c1-14-9-15(2)11-19(10-14)24-20-12-17(4)23-21(25-20)22-13-18-8-6-5-7-16(18)3/h5-12H,13H2,1-4H3,(H2,22,23,24,25)
InChIKeyXVILGMOCICMNNX-UHFFFAOYSA-N
XLogP5.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915976
6-methyl-4-N-[(2-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915782
2-N-(3,5-dimethylphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917253
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919933
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-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924421
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112917401
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112915922
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917412
4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112915986) is 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2cc(C)nc(NCc3ccccc3C)n2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is XVILGMOCICMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-14-9-15(2)11-19(10-14)24-20-12-17(4)23-21(25-20)22-13-18-8-6-5-7-16(18)3/h5-12H,13H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112915986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).