4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol

C16H16N2O — CID 141482301

IUPAC4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol
SMILESC=C(C)c1ncc(C(=C)C)c(-c2ccc(O)cc2)n1
InChIInChI=1S/C16H16N2O/c1-10(2)14-9-17-16(11(3)4)18-15(14)12-5-7-13(19)8-6-12/h5-9,19H,1,3H2,2,4H3
InChIKeyAKXMLFQDLJVCSK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.92
Rot. Bonds3

About 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol

4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol (PubChem CID 141482301) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol
PubChem CID141482301
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol
SMILESC=C(C)c1ncc(C(=C)C)c(-c2ccc(O)cc2)n1
InChIInChI=1S/C16H16N2O/c1-10(2)14-9-17-16(11(3)4)18-15(14)12-5-7-13(19)8-6-12/h5-9,19H,1,3H2,2,4H3
InChIKeyAKXMLFQDLJVCSK-UHFFFAOYSA-N
XLogP3.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol (CID 141482301) is 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol is C=C(C)c1ncc(C(=C)C)c(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol?
The InChIKey is AKXMLFQDLJVCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10(2)14-9-17-16(11(3)4)18-15(14)12-5-7-13(19)8-6-12/h5-9,19H,1,3H2,2,4H3.
What are the key properties of 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol?
4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol has a molecular weight of 252.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(prop-1-en-2-yl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 141482301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).