4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine

C13H15N3O — CID 63547712

IUPAC4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCCOc1ccccc1-c1ccnc(NC)n1
InChIInChI=1S/C13H15N3O/c1-3-17-12-7-5-4-6-10(12)11-8-9-15-13(14-2)16-11/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeySEFKGGNOTCANLZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.58
Rot. Bonds4

About 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine

4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine (PubChem CID 63547712) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
PubChem CID63547712
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCCOc1ccccc1-c1ccnc(NC)n1
InChIInChI=1S/C13H15N3O/c1-3-17-12-7-5-4-6-10(12)11-8-9-15-13(14-2)16-11/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeySEFKGGNOTCANLZ-UHFFFAOYSA-N
XLogP2.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine (CID 63547712) is 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine is CCOc1ccccc1-c1ccnc(NC)n1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine?
The InChIKey is SEFKGGNOTCANLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-17-12-7-5-4-6-10(12)11-8-9-15-13(14-2)16-11/h4-9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine?
4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 63547712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).