4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine

C14H18N4 — CID 80763496

IUPAC4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1ccc(C)c(Nc2nc(C)nc(N)c2C)c1
InChIInChI=1S/C14H18N4/c1-8-5-6-9(2)12(7-8)18-14-10(3)13(15)16-11(4)17-14/h5-7H,1-4H3,(H3,15,16,17,18)
InChIKeyKTWZVEXKTBKENI-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.04
Rot. Bonds2

About 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80763496) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80763496
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1ccc(C)c(Nc2nc(C)nc(N)c2C)c1
InChIInChI=1S/C14H18N4/c1-8-5-6-9(2)12(7-8)18-14-10(3)13(15)16-11(4)17-14/h5-7H,1-4H3,(H3,15,16,17,18)
InChIKeyKTWZVEXKTBKENI-UHFFFAOYSA-N
XLogP3.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80825346
N-(2,4-dimethylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928326
4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 81271742
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80982732
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994250
2-tert-butyl-4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80976688
4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]benzonitrile
CID 80761209

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80763496) is 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine is Cc1ccc(C)c(Nc2nc(C)nc(N)c2C)c1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is KTWZVEXKTBKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-8-5-6-9(2)12(7-8)18-14-10(3)13(15)16-11(4)17-14/h5-7H,1-4H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80763496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).