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

C16H21N3 — CID 63561539

IUPAC2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(C)cc2C)nc(NC)c1C
InChIInChI=1S/C16H21N3/c1-6-14-12(4)15(17-5)19-16(18-14)13-8-7-10(2)9-11(13)3/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyFLVRVKHRKSOYFW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds3

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

2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 63561539) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID63561539
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(C)cc2C)nc(NC)c1C
InChIInChI=1S/C16H21N3/c1-6-14-12(4)15(17-5)19-16(18-14)13-8-7-10(2)9-11(13)3/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeyFLVRVKHRKSOYFW-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-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158
2-(2-chlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63560185
5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66302387
6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 63562088
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
CID 66313232
6-ethyl-N,5-dimethyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 63561722
2-(3,5-difluorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63562473
2-(2,6-dichlorophenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 55222206
2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine
CID 64981496
6-ethyl-2-(6-methoxypyridazin-3-yl)-N,5-dimethylpyrimidin-4-amine
CID 103375001
2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102843905
[2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560270

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (CID 63561539) is 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(-c2ccc(C)cc2C)nc(NC)c1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is FLVRVKHRKSOYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-6-14-12(4)15(17-5)19-16(18-14)13-8-7-10(2)9-11(13)3/h7-9H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
2-(2,4-dimethylphenyl)-6-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 2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63561539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).