[6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine

C14H21N3 — CID 118258470

IUPAC[6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine
SMILESCc1ccc(C2=C(CN)CNC(C)N2)c(C)c1
InChIInChI=1S/C14H21N3/c1-9-4-5-13(10(2)6-9)14-12(7-15)8-16-11(3)17-14/h4-6,11,16-17H,7-8,15H2,1-3H3
InChIKeyRJSRTBAUQGXTMC-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.51
Rot. Bonds2

About [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine

[6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine (PubChem CID 118258470) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine
PubChem CID118258470
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name[6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine
SMILESCc1ccc(C2=C(CN)CNC(C)N2)c(C)c1
InChIInChI=1S/C14H21N3/c1-9-4-5-13(10(2)6-9)14-12(7-15)8-16-11(3)17-14/h4-6,11,16-17H,7-8,15H2,1-3H3
InChIKeyRJSRTBAUQGXTMC-UHFFFAOYSA-N
XLogP1.51
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine?
The IUPAC name of [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine (CID 118258470) is [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine.
What is the SMILES notation for [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine?
The canonical SMILES for [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine is Cc1ccc(C2=C(CN)CNC(C)N2)c(C)c1.
What is the InChIKey of [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine?
The InChIKey is RJSRTBAUQGXTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9-4-5-13(10(2)6-9)14-12(7-15)8-16-11(3)17-14/h4-6,11,16-17H,7-8,15H2,1-3H3.
What are the key properties of [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine?
[6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydropyrimidin-5-yl]methanamine is sourced from PubChem (CID 118258470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).