N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine

C15H19N3 — CID 62744634

IUPACN-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C15H19N3/c1-4-16-10-14-9-12(3)17-15(18-14)13-7-5-6-11(2)8-13/h5-9,16H,4,10H2,1-3H3
InChIKeyWOSMCBIGQKCMMQ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.87
Rot. Bonds4

About N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine

N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 62744634) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID62744634
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C15H19N3/c1-4-16-10-14-9-12(3)17-15(18-14)13-7-5-6-11(2)8-13/h5-9,16H,4,10H2,1-3H3
InChIKeyWOSMCBIGQKCMMQ-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
CID 136889379
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55113779
N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62744975
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
4-(methoxymethyl)-6-methyl-2-(3-methylphenyl)pyrimidine
CID 142147287
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 55114618
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
CID 62745336
3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 107922025
N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62746211
N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 104790819
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine (CID 62744634) is N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(C)nc(-c2cccc(C)c2)n1.
What is the InChIKey of N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is WOSMCBIGQKCMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-16-10-14-9-12(3)17-15(18-14)13-7-5-6-11(2)8-13/h5-9,16H,4,10H2,1-3H3.
What are the key properties of N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62744634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).