4-phenyl-1-pyrimidin-4-ylbutan-1-ol

C14H16N2O — CID 63988109

IUPAC4-phenyl-1-pyrimidin-4-ylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1ccncn1
InChIInChI=1S/C14H16N2O/c17-14(13-9-10-15-11-16-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,14,17H,4,7-8H2
InChIKeyRWALJIFJMKPDOM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.53
Rot. Bonds5

About 4-phenyl-1-pyrimidin-4-ylbutan-1-ol

4-phenyl-1-pyrimidin-4-ylbutan-1-ol (PubChem CID 63988109) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-phenyl-1-pyrimidin-4-ylbutan-1-ol.

Molecular Properties

Compound Name4-phenyl-1-pyrimidin-4-ylbutan-1-ol
PubChem CID63988109
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-phenyl-1-pyrimidin-4-ylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1ccncn1
InChIInChI=1S/C14H16N2O/c17-14(13-9-10-15-11-16-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,14,17H,4,7-8H2
InChIKeyRWALJIFJMKPDOM-UHFFFAOYSA-N
XLogP2.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol
CID 65095491
2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol
CID 63987868
3-phenyl-2-pyrimidin-4-ylpropanoic acid
CID 104571562
(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 174457838
3-hydroxy-3-pyrimidin-4-ylpropanenitrile
CID 79118235
1-chloro-7-phenylheptan-4-ol
CID 54140253
1-amino-6-phenyl-2-pyridin-2-ylhexan-3-ol
CID 80527008
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
(2R)-5-phenylpentane-1,2-diol
CID 102483629
4-phenyl-1-quinolin-5-ylbutan-1-ol
CID 105091341
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-pyrimidin-4-ylbutan-1-ol?
The IUPAC name of 4-phenyl-1-pyrimidin-4-ylbutan-1-ol (CID 63988109) is 4-phenyl-1-pyrimidin-4-ylbutan-1-ol.
What is the SMILES notation for 4-phenyl-1-pyrimidin-4-ylbutan-1-ol?
The canonical SMILES for 4-phenyl-1-pyrimidin-4-ylbutan-1-ol is OC(CCCc1ccccc1)c1ccncn1.
What is the InChIKey of 4-phenyl-1-pyrimidin-4-ylbutan-1-ol?
The InChIKey is RWALJIFJMKPDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(13-9-10-15-11-16-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,14,17H,4,7-8H2.
What are the key properties of 4-phenyl-1-pyrimidin-4-ylbutan-1-ol?
4-phenyl-1-pyrimidin-4-ylbutan-1-ol has a molecular weight of 228.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-pyrimidin-4-ylbutan-1-ol is sourced from PubChem (CID 63988109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).