1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol

C11H16N2O2 — CID 102950530

IUPAC1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(OC)ncn1
InChIInChI=1S/C11H16N2O2/c1-8(2)4-5-10(14)9-6-11(15-3)13-7-12-9/h6-7,10,14H,1,4-5H2,2-3H3
InChIKeyHPDPNRNOEUQSFM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds5

About 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol

1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol (PubChem CID 102950530) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
PubChem CID102950530
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(OC)ncn1
InChIInChI=1S/C11H16N2O2/c1-8(2)4-5-10(14)9-6-11(15-3)13-7-12-9/h6-7,10,14H,1,4-5H2,2-3H3
InChIKeyHPDPNRNOEUQSFM-UHFFFAOYSA-N
XLogP1.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
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)but-3-en-1-ol
CID 102950319
1-(6-methoxypyrimidin-4-yl)-3-methylidenepentan-1-amine
CID 102950603
1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
CID 115834477
3-(6-methoxypyrimidin-4-yl)butan-2-one
CID 66319703
[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine
CID 102953237
cyclobutyl-(6-methoxypyrimidin-4-yl)methanol
CID 102950436
2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950239
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950454
1-(6-methoxypyrimidin-4-yl)pent-4-enylhydrazine
CID 102953290
[4-methoxy-1-(6-methoxypyrimidin-4-yl)-4-methylpentyl]hydrazine
CID 103027166
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine
CID 107896968

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol (CID 102950530) is 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol?
The InChIKey is HPDPNRNOEUQSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)4-5-10(14)9-6-11(15-3)13-7-12-9/h6-7,10,14H,1,4-5H2,2-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol?
1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.87, 5 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)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 102950530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).