2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine

C13H15N3 — CID 62900182

IUPAC2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine
SMILESCCc1ncc(-c2ccccc2C)c(N)n1
InChIInChI=1S/C13H15N3/c1-3-12-15-8-11(13(14)16-12)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyRXNSXTOBEHMFOQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.60
Rot. Bonds2

About 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine

2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 62900182) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine
PubChem CID62900182
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine
SMILESCCc1ncc(-c2ccccc2C)c(N)n1
InChIInChI=1S/C13H15N3/c1-3-12-15-8-11(13(14)16-12)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyRXNSXTOBEHMFOQ-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine (CID 62900182) is 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine is CCc1ncc(-c2ccccc2C)c(N)n1.
What is the InChIKey of 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is RXNSXTOBEHMFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-12-15-8-11(13(14)16-12)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine?
2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62900182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).