4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol

C18H20N2O — CID 141214888

IUPAC4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol
SMILESCCCCC1=C(c2ccc(O)cc2)CN2C=CC=CC2=N1
InChIInChI=1S/C18H20N2O/c1-2-3-6-17-16(14-8-10-15(21)11-9-14)13-20-12-5-4-7-18(20)19-17/h4-5,7-12,21H,2-3,6,13H2,1H3
InChIKeyXFEHCLPUIFNSHI-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.09
Rot. Bonds4

About 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol

4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol (PubChem CID 141214888) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol
PubChem CID141214888
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol
SMILESCCCCC1=C(c2ccc(O)cc2)CN2C=CC=CC2=N1
InChIInChI=1S/C18H20N2O/c1-2-3-6-17-16(14-8-10-15(21)11-9-14)13-20-12-5-4-7-18(20)19-17/h4-5,7-12,21H,2-3,6,13H2,1H3
InChIKeyXFEHCLPUIFNSHI-UHFFFAOYSA-N
XLogP4.09
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol?
The IUPAC name of 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol (CID 141214888) is 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol.
What is the SMILES notation for 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol?
The canonical SMILES for 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol is CCCCC1=C(c2ccc(O)cc2)CN2C=CC=CC2=N1.
What is the InChIKey of 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol?
The InChIKey is XFEHCLPUIFNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-3-6-17-16(14-8-10-15(21)11-9-14)13-20-12-5-4-7-18(20)19-17/h4-5,7-12,21H,2-3,6,13H2,1H3.
What are the key properties of 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol?
4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol has a molecular weight of 280.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-4H-pyrido[1,2-a]pyrimidin-3-yl)phenol is sourced from PubChem (CID 141214888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).