3-pyrimidin-5-ylprop-2-yn-1-ol

C7H6N2O — CID 5303257

IUPAC3-pyrimidin-5-ylprop-2-yn-1-ol
SMILESOCC#Cc1cncnc1
InChIInChI=1S/C7H6N2O/c10-3-1-2-7-4-8-6-9-5-7/h4-6,10H,3H2
InChIKeyHASOEWCDBMNTPE-UHFFFAOYSA-N
MW134.14 g/mol
LogP-0.18
Rot. Bonds

About 3-pyrimidin-5-ylprop-2-yn-1-ol

3-pyrimidin-5-ylprop-2-yn-1-ol (PubChem CID 5303257) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-pyrimidin-5-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-pyrimidin-5-ylprop-2-yn-1-ol
PubChem CID5303257
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name3-pyrimidin-5-ylprop-2-yn-1-ol
SMILESOCC#Cc1cncnc1
InChIInChI=1S/C7H6N2O/c10-3-1-2-7-4-8-6-9-5-7/h4-6,10H,3H2
InChIKeyHASOEWCDBMNTPE-UHFFFAOYSA-N
XLogP-0.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589630
5-(3-methoxyprop-1-ynyl)pyrimidine
CID 122241960
4-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylbenzamide
CID 107589626
N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 102922411
5-ethynylpyrimidine
CID 1475194
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485289
5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde
CID 169484844
tert-butyl 5-(3-hydroxyprop-1-ynyl)pyrimidine-2-carboxylate
CID 175706715
5-(6-fluorohept-1-ynyl)pyrimidine
CID 142658340
trimethyl(2-pyrimidin-5-ylethynyl)silane
CID 15349669
3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-yn-1-ol
CID 169485141
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 102922419

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-ylprop-2-yn-1-ol?
The IUPAC name of 3-pyrimidin-5-ylprop-2-yn-1-ol (CID 5303257) is 3-pyrimidin-5-ylprop-2-yn-1-ol.
What is the SMILES notation for 3-pyrimidin-5-ylprop-2-yn-1-ol?
The canonical SMILES for 3-pyrimidin-5-ylprop-2-yn-1-ol is OCC#Cc1cncnc1.
What is the InChIKey of 3-pyrimidin-5-ylprop-2-yn-1-ol?
The InChIKey is HASOEWCDBMNTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-3-1-2-7-4-8-6-9-5-7/h4-6,10H,3H2.
What are the key properties of 3-pyrimidin-5-ylprop-2-yn-1-ol?
3-pyrimidin-5-ylprop-2-yn-1-ol has a molecular weight of 134.14 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-ylprop-2-yn-1-ol is sourced from PubChem (CID 5303257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).