1-pyrimidin-2-ylbutan-1-ol

C8H12N2O — CID 60798581

IUPAC1-pyrimidin-2-ylbutan-1-ol
SMILESCCCC(O)c1ncccn1
InChIInChI=1S/C8H12N2O/c1-2-4-7(11)8-9-5-3-6-10-8/h3,5-7,11H,2,4H2,1H3
InChIKeyISNHPQIESVHMHK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.31
Rot. Bonds3

About 1-pyrimidin-2-ylbutan-1-ol

1-pyrimidin-2-ylbutan-1-ol (PubChem CID 60798581) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-pyrimidin-2-ylbutan-1-ol.

Molecular Properties

Compound Name1-pyrimidin-2-ylbutan-1-ol
PubChem CID60798581
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-pyrimidin-2-ylbutan-1-ol
SMILESCCCC(O)c1ncccn1
InChIInChI=1S/C8H12N2O/c1-2-4-7(11)8-9-5-3-6-10-8/h3,5-7,11H,2,4H2,1H3
InChIKeyISNHPQIESVHMHK-UHFFFAOYSA-N
XLogP1.31
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol
CID 62608221
(1R)-1-(3-chloropyrazin-2-yl)butan-1-ol
CID 95180337
3-pyrimidin-2-ylpentan-2-ol
CID 63201326
2-methyl-1-(3-methyl-2-pyridinyl)pentan-1-ol
CID 107892875
1-(2H-tetrazol-5-yl)butan-1-ol
CID 69249194
2-(1-methylcyclobutyl)-1-pyrimidin-2-ylethanol
CID 130601446
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol
CID 130412460
1-(1H-pyrrol-2-yl)butan-1-ol
CID 57024972
2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol
CID 114552994
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-(4-fluorophenyl)-1-pyrimidin-2-ylethanol
CID 60798851
1-pyrimidin-2-ylbutane-1,2,4-triol
CID 171871708

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylbutan-1-ol?
The IUPAC name of 1-pyrimidin-2-ylbutan-1-ol (CID 60798581) is 1-pyrimidin-2-ylbutan-1-ol.
What is the SMILES notation for 1-pyrimidin-2-ylbutan-1-ol?
The canonical SMILES for 1-pyrimidin-2-ylbutan-1-ol is CCCC(O)c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-ylbutan-1-ol?
The InChIKey is ISNHPQIESVHMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-4-7(11)8-9-5-3-6-10-8/h3,5-7,11H,2,4H2,1H3.
What are the key properties of 1-pyrimidin-2-ylbutan-1-ol?
1-pyrimidin-2-ylbutan-1-ol has a molecular weight of 152.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylbutan-1-ol is sourced from PubChem (CID 60798581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).