(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol

C20H24N2O — CID 70263354

IUPAC(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2cnc(/C=C/CCCC(C)O)nc2)cc1
InChIInChI=1S/C20H24N2O/c1-3-7-17-10-12-18(13-11-17)19-14-21-20(22-15-19)9-6-4-5-8-16(2)23/h3,6,9-16,23H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyXBBJOYWBBRGNEO-RMKNXTFCSA-N
MW308.43 g/mol
LogP4.44
Rot. Bonds8

About (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol

(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol (PubChem CID 70263354) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol.

Molecular Properties

Compound Name(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol
PubChem CID70263354
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol
SMILESC=CCc1ccc(-c2cnc(/C=C/CCCC(C)O)nc2)cc1
InChIInChI=1S/C20H24N2O/c1-3-7-17-10-12-18(13-11-17)19-14-21-20(22-15-19)9-6-4-5-8-16(2)23/h3,6,9-16,23H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyXBBJOYWBBRGNEO-RMKNXTFCSA-N
XLogP4.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-7-[5-[4-(4-prop-2-enylphenyl)phenyl]-2-pyridinyl]hept-6-en-2-ol
CID 70260964
(E)-7-[6-(4-prop-2-enylphenyl)quinazolin-2-yl]hept-6-en-2-ol
CID 70263794
7-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]hept-6-en-2-ol
CID 70263386
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
7-[6-[4-(4-prop-2-enylphenyl)phenyl]-3-pyridinyl]hept-6-en-2-ol
CID 70263352
(E)-7-[5-(4-prop-2-enylphenyl)pyrazin-2-yl]hept-6-en-2-ol
CID 70263498
2-[(E)-6-pentoxyhept-1-enyl]-5-[4-(4-prop-2-enylphenyl)phenyl]pyrimidine
CID 70264469
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
(E)-7-[5-(6-prop-2-enylnaphthalen-2-yl)-2-pyridinyl]hept-6-en-2-ol
CID 70263664
7-[4-[4-(6-prop-2-enyl-3-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263140
(E)-7-[3-fluoro-4-[2-(4-prop-2-enylphenyl)pyrimidin-5-yl]phenyl]hept-6-en-2-ol
CID 70263409
7-[3-(4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263038

Frequently Asked Questions

What is the IUPAC name of (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol?
The IUPAC name of (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol (CID 70263354) is (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol.
What is the SMILES notation for (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol?
The canonical SMILES for (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol is C=CCc1ccc(-c2cnc(/C=C/CCCC(C)O)nc2)cc1.
What is the InChIKey of (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol?
The InChIKey is XBBJOYWBBRGNEO-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-7-17-10-12-18(13-11-17)19-14-21-20(22-15-19)9-6-4-5-8-16(2)23/h3,6,9-16,23H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol?
(E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol has a molecular weight of 308.43 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[5-(4-prop-2-enylphenyl)pyrimidin-2-yl]hept-6-en-2-ol is sourced from PubChem (CID 70263354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).