2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

C14H17N3O — CID 80936313

IUPAC2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cccc(OC)c2)n1
InChIInChI=1S/C14H17N3O/c1-4-13-16-12(9-14(15-2)17-13)10-6-5-7-11(8-10)18-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyUEBHHBNFLCTBBE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.76
Rot. Bonds4

About 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 80936313) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID80936313
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cccc(OC)c2)n1
InChIInChI=1S/C14H17N3O/c1-4-13-16-12(9-14(15-2)17-13)10-6-5-7-11(8-10)18-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyUEBHHBNFLCTBBE-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 80936313) is 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(-c2cccc(OC)c2)n1.
What is the InChIKey of 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is UEBHHBNFLCTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-13-16-12(9-14(15-2)17-13)10-6-5-7-11(8-10)18-3/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80936313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).