3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol

C15H19N3O — CID 62202780

IUPAC3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
SMILESCCCNc1cc(CC)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C15H19N3O/c1-3-8-16-14-10-12(4-2)17-15(18-14)11-6-5-7-13(19)9-11/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyKXHWOPZUSGDXCA-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.23
Rot. Bonds5

About 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol

3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol (PubChem CID 62202780) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
PubChem CID62202780
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
SMILESCCCNc1cc(CC)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C15H19N3O/c1-3-8-16-14-10-12(4-2)17-15(18-14)11-6-5-7-13(19)9-11/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyKXHWOPZUSGDXCA-UHFFFAOYSA-N
XLogP3.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol (CID 62202780) is 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol is CCCNc1cc(CC)nc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol?
The InChIKey is KXHWOPZUSGDXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-8-16-14-10-12(4-2)17-15(18-14)11-6-5-7-13(19)9-11/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol?
3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol has a molecular weight of 257.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 62202780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).