1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol

C9H12N2O2 — CID 102950319

IUPAC1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol
SMILESC=CCC(O)c1cc(OC)ncn1
InChIInChI=1S/C9H12N2O2/c1-3-4-8(12)7-5-9(13-2)11-6-10-7/h3,5-6,8,12H,1,4H2,2H3
InChIKeyKEVSFLSHNURVGP-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol

1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol (PubChem CID 102950319) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol
PubChem CID102950319
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol
SMILESC=CCC(O)c1cc(OC)ncn1
InChIInChI=1S/C9H12N2O2/c1-3-4-8(12)7-5-9(13-2)11-6-10-7/h3,5-6,8,12H,1,4H2,2H3
InChIKeyKEVSFLSHNURVGP-UHFFFAOYSA-N
XLogP1.09
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
CID 102950530
N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
CID 102951459
1-(6-methoxypyrimidin-4-yl)pent-4-enylhydrazine
CID 102953290
3-(6-methoxypyrimidin-4-yl)butan-2-one
CID 66319703
cyclobutyl-(6-methoxypyrimidin-4-yl)methanol
CID 102950436
1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 102950291
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950454
1-(6-methoxypyrimidin-4-yl)-3-methylidenepentan-1-amine
CID 102950603
[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine
CID 102953237
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
2-(6-methoxypyrimidin-4-yl)pentan-3-one
CID 66319706

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol (CID 102950319) is 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol is C=CCC(O)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol?
The InChIKey is KEVSFLSHNURVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-4-8(12)7-5-9(13-2)11-6-10-7/h3,5-6,8,12H,1,4H2,2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol?
1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol has a molecular weight of 180.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol is sourced from PubChem (CID 102950319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).