2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol

C14H20N2O — CID 14210136

IUPAC2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol
SMILESCCCCC#CC(O)(c1cncnc1)C(C)C
InChIInChI=1S/C14H20N2O/c1-4-5-6-7-8-14(17,12(2)3)13-9-15-11-16-10-13/h9-12,17H,4-6H2,1-3H3
InChIKeyXCZOSIJAORQAPD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol

2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol (PubChem CID 14210136) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol.

Molecular Properties

Compound Name2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol
PubChem CID14210136
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol
SMILESCCCCC#CC(O)(c1cncnc1)C(C)C
InChIInChI=1S/C14H20N2O/c1-4-5-6-7-8-14(17,12(2)3)13-9-15-11-16-10-13/h9-12,17H,4-6H2,1-3H3
InChIKeyXCZOSIJAORQAPD-UHFFFAOYSA-N
XLogP2.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol?
The IUPAC name of 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol (CID 14210136) is 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol.
What is the SMILES notation for 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol?
The canonical SMILES for 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol is CCCCC#CC(O)(c1cncnc1)C(C)C.
What is the InChIKey of 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol?
The InChIKey is XCZOSIJAORQAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-5-6-7-8-14(17,12(2)3)13-9-15-11-16-10-13/h9-12,17H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol?
2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol has a molecular weight of 232.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrimidin-5-ylnon-4-yn-3-ol is sourced from PubChem (CID 14210136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).