(E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol

C8H10N2O — CID 45080072

IUPAC(E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol
SMILESCc1ccnc(/C=C/CO)n1
InChIInChI=1S/C8H10N2O/c1-7-4-5-9-8(10-7)3-2-6-11/h2-5,11H,6H2,1H3/b3-2+
InChIKeyKSPZGBIMCHYOKQ-NSCUHMNNSA-N
MW150.18 g/mol
LogP0.79
Rot. Bonds2

About (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol

(E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol (PubChem CID 45080072) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol
PubChem CID45080072
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol
SMILESCc1ccnc(/C=C/CO)n1
InChIInChI=1S/C8H10N2O/c1-7-4-5-9-8(10-7)3-2-6-11/h2-5,11H,6H2,1H3/b3-2+
InChIKeyKSPZGBIMCHYOKQ-NSCUHMNNSA-N
XLogP0.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol (CID 45080072) is (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol is Cc1ccnc(/C=C/CO)n1.
What is the InChIKey of (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol?
The InChIKey is KSPZGBIMCHYOKQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7-4-5-9-8(10-7)3-2-6-11/h2-5,11H,6H2,1H3/b3-2+.
What are the key properties of (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol?
(E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol has a molecular weight of 150.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylpyrimidin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 45080072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).