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

C16H21N3 — CID 55113779

IUPACN-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C16H21N3/c1-5-17-10-15-12(3)18-16(19-13(15)4)14-8-6-7-11(2)9-14/h6-9,17H,5,10H2,1-4H3
InChIKeyUIPCGYNZZCJLQG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.18
Rot. Bonds4

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

N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 55113779) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID55113779
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C16H21N3/c1-5-17-10-15-12(3)18-16(19-13(15)4)14-8-6-7-11(2)9-14/h6-9,17H,5,10H2,1-4H3
InChIKeyUIPCGYNZZCJLQG-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine (CID 55113779) is N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1c(C)nc(-c2cccc(C)c2)nc1C.
What is the InChIKey of N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is UIPCGYNZZCJLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-17-10-15-12(3)18-16(19-13(15)4)14-8-6-7-11(2)9-14/h6-9,17H,5,10H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(3-methylphenyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 55113779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).