4-phenyl-6-propoxypyrimidin-2-amine

C13H15N3O — CID 46173611

IUPAC4-phenyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(-c2ccccc2)nc(N)n1
InChIInChI=1S/C13H15N3O/c1-2-8-17-12-9-11(15-13(14)16-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,14,15,16)
InChIKeyWXAFXHYCNVMTSY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.51
Rot. Bonds4

About 4-phenyl-6-propoxypyrimidin-2-amine

4-phenyl-6-propoxypyrimidin-2-amine (PubChem CID 46173611) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-phenyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-phenyl-6-propoxypyrimidin-2-amine
PubChem CID46173611
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-phenyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(-c2ccccc2)nc(N)n1
InChIInChI=1S/C13H15N3O/c1-2-8-17-12-9-11(15-13(14)16-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,14,15,16)
InChIKeyWXAFXHYCNVMTSY-UHFFFAOYSA-N
XLogP2.51
TPSA61.03 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-phenyl-6-propoxypyrimidin-2-amine (CID 46173611) is 4-phenyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-phenyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-phenyl-6-propoxypyrimidin-2-amine is CCCOc1cc(-c2ccccc2)nc(N)n1.
What is the InChIKey of 4-phenyl-6-propoxypyrimidin-2-amine?
The InChIKey is WXAFXHYCNVMTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-8-17-12-9-11(15-13(14)16-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,14,15,16).
What are the key properties of 4-phenyl-6-propoxypyrimidin-2-amine?
4-phenyl-6-propoxypyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 46173611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).