4-pyrimidin-5-ylpentan-2-ol

C9H14N2O — CID 64720570

IUPAC4-pyrimidin-5-ylpentan-2-ol
SMILESCC(O)CC(C)c1cncnc1
InChIInChI=1S/C9H14N2O/c1-7(3-8(2)12)9-4-10-6-11-5-9/h4-8,12H,3H2,1-2H3
InChIKeyYWZOCSMJXRECNY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.35
Rot. Bonds3

About 4-pyrimidin-5-ylpentan-2-ol

4-pyrimidin-5-ylpentan-2-ol (PubChem CID 64720570) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-pyrimidin-5-ylpentan-2-ol.

Molecular Properties

Compound Name4-pyrimidin-5-ylpentan-2-ol
PubChem CID64720570
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-pyrimidin-5-ylpentan-2-ol
SMILESCC(O)CC(C)c1cncnc1
InChIInChI=1S/C9H14N2O/c1-7(3-8(2)12)9-4-10-6-11-5-9/h4-8,12H,3H2,1-2H3
InChIKeyYWZOCSMJXRECNY-UHFFFAOYSA-N
XLogP1.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-pyrimidin-5-ylethanol
CID 86316466
(1S)-1-pyrimidin-5-ylpropan-1-ol
CID 15812275
6-methyl-1-pyrimidin-5-ylheptan-1-ol
CID 174530824
4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
5-[(1S)-1-iodoethyl]pyrimidine
CID 89189906
di(pyrimidin-5-yl)methanamine
CID 102923336
1-pyrimidin-5-ylhexan-1-ol
CID 15889672
2-methyl-1-pyrimidin-5-ylpropane-1,2-diol
CID 103448932
1-pyrimidin-5-yltridecan-1-ol
CID 102924013
3-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 115827442
3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 131050174
1-pyrimidin-5-ylheptan-1-ol
CID 63901616

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-5-ylpentan-2-ol?
The IUPAC name of 4-pyrimidin-5-ylpentan-2-ol (CID 64720570) is 4-pyrimidin-5-ylpentan-2-ol.
What is the SMILES notation for 4-pyrimidin-5-ylpentan-2-ol?
The canonical SMILES for 4-pyrimidin-5-ylpentan-2-ol is CC(O)CC(C)c1cncnc1.
What is the InChIKey of 4-pyrimidin-5-ylpentan-2-ol?
The InChIKey is YWZOCSMJXRECNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(3-8(2)12)9-4-10-6-11-5-9/h4-8,12H,3H2,1-2H3.
What are the key properties of 4-pyrimidin-5-ylpentan-2-ol?
4-pyrimidin-5-ylpentan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-5-ylpentan-2-ol is sourced from PubChem (CID 64720570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).