2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine

C16H21N3 — CID 62744051

IUPAC2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C16H21N3/c1-11-6-5-7-14(10-11)16-18-12(2)15(8-9-17-4)13(3)19-16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyWRACMDHRNOKRAX-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.83
Rot. Bonds4

About 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 62744051) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID62744051
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C16H21N3/c1-11-6-5-7-14(10-11)16-18-12(2)15(8-9-17-4)13(3)19-16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyWRACMDHRNOKRAX-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]acetic acid
CID 61269584
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62252767
N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231174
2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62745455
4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine
CID 63612987
2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 62746332
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720
2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol
CID 115069802
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine (CID 62744051) is 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(-c2cccc(C)c2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is WRACMDHRNOKRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-5-7-14(10-11)16-18-12(2)15(8-9-17-4)13(3)19-16/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 62744051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).