(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol

C9H12N2O — CID 134541607

IUPAC(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol
SMILESCc1cnc(/C=C/CCO)nc1
InChIInChI=1S/C9H12N2O/c1-8-6-10-9(11-7-8)4-2-3-5-12/h2,4,6-7,12H,3,5H2,1H3/b4-2+
InChIKeyHKAXMJIHIQDPIZ-DUXPYHPUSA-N
MW164.21 g/mol
LogP1.18
Rot. Bonds3

About (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol

(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol (PubChem CID 134541607) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol
PubChem CID134541607
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol
SMILESCc1cnc(/C=C/CCO)nc1
InChIInChI=1S/C9H12N2O/c1-8-6-10-9(11-7-8)4-2-3-5-12/h2,4,6-7,12H,3,5H2,1H3/b4-2+
InChIKeyHKAXMJIHIQDPIZ-DUXPYHPUSA-N
XLogP1.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol
CID 170476275
tert-butyl-dimethyl-[(E)-4-(5-methylpyrimidin-2-yl)but-3-enoxy]silane
CID 153429891
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221
2-[4-(methylamino)but-1-enyl]pyrimidin-5-ol
CID 170495243
4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol
CID 170476052
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol
CID 170476886
(5-methylpyrimidin-2-yl)methanol
CID 23043337
2-(4-hydroxybut-1-enyl)-1,3-thiazole-5-carboxylic acid
CID 170476297
4-(1-methylimidazol-2-yl)but-3-en-1-ol
CID 170475975
2-[3-(methylamino)prop-1-enyl]pyrimidin-5-ol
CID 169473082
5-methylpyrimidine-2-carbaldehyde;1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 159746073

Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol?
The IUPAC name of (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol (CID 134541607) is (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol is Cc1cnc(/C=C/CCO)nc1.
What is the InChIKey of (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol?
The InChIKey is HKAXMJIHIQDPIZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8-6-10-9(11-7-8)4-2-3-5-12/h2,4,6-7,12H,3,5H2,1H3/b4-2+.
What are the key properties of (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol?
(E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol has a molecular weight of 164.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-methylpyrimidin-2-yl)but-3-en-1-ol is sourced from PubChem (CID 134541607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).