N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine

C14H17N3 — CID 58412586

IUPACN-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1ncc(C)c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C14H17N3/c1-9-6-5-7-13(11(9)3)17-14-10(2)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyGXQJALAJIKOOHQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.45
Rot. Bonds2

About N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine

N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 58412586) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID58412586
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1ncc(C)c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C14H17N3/c1-9-6-5-7-13(11(9)3)17-14-10(2)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyGXQJALAJIKOOHQ-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;ethane
CID 143939192
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
N-(3,5-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412715
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179
N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8934299
2-(2,5-dimethylpyrimidin-4-yl)-1,1-diphenylhydrazine
CID 90291760
4-N-(2,3-dimethylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761966
2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066171

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine (CID 58412586) is N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine is Cc1ncc(C)c(Nc2cccc(C)c2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is GXQJALAJIKOOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-6-5-7-13(11(9)3)17-14-10(2)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine?
N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 58412586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).