2-benzyl-N-ethyl-6-methylpyrimidin-4-amine

C14H17N3 — CID 62191071

IUPAC2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(Cc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-3-15-13-9-11(2)16-14(17-13)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyJOSNWNWYHVQHGK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.81
Rot. Bonds4

About 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine

2-benzyl-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 62191071) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID62191071
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(Cc2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-3-15-13-9-11(2)16-14(17-13)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyJOSNWNWYHVQHGK-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine (CID 62191071) is 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is JOSNWNWYHVQHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-15-13-9-11(2)16-14(17-13)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine?
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62191071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).