N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine

C14H17N3 — CID 116976971

IUPACN-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine
SMILESCNc1ncc(-c2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C14H17N3/c1-9-5-10(2)13(11(3)6-9)12-7-16-14(15-4)17-8-12/h5-8H,1-4H3,(H,15,16,17)
InChIKeyWQPBOEOGBNIMIF-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.11
Rot. Bonds2

About N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine

N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine (PubChem CID 116976971) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine
PubChem CID116976971
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine
SMILESCNc1ncc(-c2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C14H17N3/c1-9-5-10(2)13(11(3)6-9)12-7-16-14(15-4)17-8-12/h5-8H,1-4H3,(H,15,16,17)
InChIKeyWQPBOEOGBNIMIF-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine (CID 116976971) is N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine is CNc1ncc(-c2c(C)cc(C)cc2C)cn1.
What is the InChIKey of N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The InChIKey is WQPBOEOGBNIMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-5-10(2)13(11(3)6-9)12-7-16-14(15-4)17-8-12/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,4,6-trimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 116976971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).