6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine

C16H21N3 — CID 80975562

IUPAC6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(-c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H21N3/c1-6-14-18-15(12(4)16(17-5)19-14)13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyKPWFXCJMUFRAJL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds3

About 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80975562) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80975562
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(-c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H21N3/c1-6-14-18-15(12(4)16(17-5)19-14)13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyKPWFXCJMUFRAJL-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,5-dimethyl-6-(3-methylphenyl)pyrimidin-4-amine
CID 80975057
2-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 106681515
2-ethyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 80975159
2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80978807
6-(3-cyclobutylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 114607003
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102927033
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80970250
2-ethyl-N,5-dimethyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 80976650
2-ethyl-6-(1-ethylimidazol-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80977310
4-N-(2-chloro-4-methylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976266
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80975562) is 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(-c2cc(C)cc(C)c2)n1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is KPWFXCJMUFRAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-6-14-18-15(12(4)16(17-5)19-14)13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80975562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).