4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine

C14H18N4 — CID 80754824

IUPAC4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H18N4/c1-9-5-6-12(7-10(9)2)17-13-8-11(3)16-14(15-4)18-13/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyDECLXKMGRWMVOU-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.19
Rot. Bonds3

About 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80754824) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80754824
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H18N4/c1-9-5-6-12(7-10(9)2)17-13-8-11(3)16-14(15-4)18-13/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyDECLXKMGRWMVOU-UHFFFAOYSA-N
XLogP3.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-fluoro-3-methylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80824530
2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927325
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928213
2-N-(3-bromophenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928197
2-N-butan-2-yl-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112909132
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916813
2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850538
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919308
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928205
6-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80755260
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919313

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 80754824) is 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is DECLXKMGRWMVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-5-6-12(7-10(9)2)17-13-8-11(3)16-14(15-4)18-13/h5-8H,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80754824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).