6-methyl-1-pyrimidin-5-ylheptan-1-ol

C12H20N2O — CID 174530824

IUPAC6-methyl-1-pyrimidin-5-ylheptan-1-ol
SMILESCC(C)CCCCC(O)c1cncnc1
InChIInChI=1S/C12H20N2O/c1-10(2)5-3-4-6-12(15)11-7-13-9-14-8-11/h7-10,12,15H,3-6H2,1-2H3
InChIKeyCPORTEHKRZMXCB-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.73
Rot. Bonds6

About 6-methyl-1-pyrimidin-5-ylheptan-1-ol

6-methyl-1-pyrimidin-5-ylheptan-1-ol (PubChem CID 174530824) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-methyl-1-pyrimidin-5-ylheptan-1-ol.

Molecular Properties

Compound Name6-methyl-1-pyrimidin-5-ylheptan-1-ol
PubChem CID174530824
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name6-methyl-1-pyrimidin-5-ylheptan-1-ol
SMILESCC(C)CCCCC(O)c1cncnc1
InChIInChI=1S/C12H20N2O/c1-10(2)5-3-4-6-12(15)11-7-13-9-14-8-11/h7-10,12,15H,3-6H2,1-2H3
InChIKeyCPORTEHKRZMXCB-UHFFFAOYSA-N
XLogP2.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyrimidin-5-ylhexan-1-ol
CID 15889672
1-pyrimidin-5-yltridecan-1-ol
CID 102924013
1-pyrimidin-5-ylheptan-1-ol
CID 63901616
(1S)-1-pyrimidin-5-ylpropan-1-ol
CID 15812275
4-methyl-1-pyrimidin-5-ylpent-4-en-1-ol
CID 102924122
3-(2-methoxyethoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 102927713
2-methylbenzene-1,3-dicarboxylic acid;6-methyl-1-pyrimidin-5-yloctan-1-ol
CID 174530825
4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
4-pyrimidin-5-ylpentan-2-ol
CID 64720570
5-methyl-1-phenylhexan-1-ol
CID 10997859
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pyrimidin-5-ylheptan-1-ol?
The IUPAC name of 6-methyl-1-pyrimidin-5-ylheptan-1-ol (CID 174530824) is 6-methyl-1-pyrimidin-5-ylheptan-1-ol.
What is the SMILES notation for 6-methyl-1-pyrimidin-5-ylheptan-1-ol?
The canonical SMILES for 6-methyl-1-pyrimidin-5-ylheptan-1-ol is CC(C)CCCCC(O)c1cncnc1.
What is the InChIKey of 6-methyl-1-pyrimidin-5-ylheptan-1-ol?
The InChIKey is CPORTEHKRZMXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(2)5-3-4-6-12(15)11-7-13-9-14-8-11/h7-10,12,15H,3-6H2,1-2H3.
What are the key properties of 6-methyl-1-pyrimidin-5-ylheptan-1-ol?
6-methyl-1-pyrimidin-5-ylheptan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pyrimidin-5-ylheptan-1-ol is sourced from PubChem (CID 174530824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).