2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine

C20H22N4 — CID 112927480

IUPAC2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)c2ccccc2)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C20H22N4/c1-14-10-11-17(12-15(14)2)22-20-21-16(3)13-19(23-20)24(4)18-8-6-5-7-9-18/h5-13H,1-4H3,(H,21,22,23)
InChIKeyGWRWMEDFGDYWRA-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.91
Rot. Bonds4

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

2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112927480) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112927480
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)c2ccccc2)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C20H22N4/c1-14-10-11-17(12-15(14)2)22-20-21-16(3)13-19(23-20)24(4)18-8-6-5-7-9-18/h5-13H,1-4H3,(H,21,22,23)
InChIKeyGWRWMEDFGDYWRA-UHFFFAOYSA-N
XLogP4.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112927517
2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902020
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
4-N,6-dimethyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112927535
4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915980
1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3,4-dimethylphenyl)urea
CID 122287217
2-N-[2-(4-chlorophenyl)ethyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112922674
2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112918107
2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927325
methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
CID 71689122
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
4-N-benzyl-2-N-(3-chloro-4-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918933

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine (CID 112927480) is 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(N(C)c2ccccc2)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is GWRWMEDFGDYWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-14-10-11-17(12-15(14)2)22-20-21-16(3)13-19(23-20)24(4)18-8-6-5-7-9-18/h5-13H,1-4H3,(H,21,22,23).
What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112927480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).