4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol

C17H19N3O — CID 19827483

IUPAC4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol
SMILESCCC(C)(C)C(O)(C#Cc1cccnc1)c1cncnc1
InChIInChI=1S/C17H19N3O/c1-4-16(2,3)17(21,15-11-19-13-20-12-15)8-7-14-6-5-9-18-10-14/h5-6,9-13,21H,4H2,1-3H3
InChIKeyVTYYIMCYHMIEQU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.55
Rot. Bonds3

About 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol

4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol (PubChem CID 19827483) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol
PubChem CID19827483
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol
SMILESCCC(C)(C)C(O)(C#Cc1cccnc1)c1cncnc1
InChIInChI=1S/C17H19N3O/c1-4-16(2,3)17(21,15-11-19-13-20-12-15)8-7-14-6-5-9-18-10-14/h5-6,9-13,21H,4H2,1-3H3
InChIKeyVTYYIMCYHMIEQU-UHFFFAOYSA-N
XLogP2.55
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol with MolForge

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Related Compounds

3-ethynylpyridine;2-methyl-4-pyridin-3-ylbut-3-yn-2-ol
CID 161001235
1-[(2R)-2-hydroxy-4-pyridin-3-ylbut-3-yn-2-yl]cyclopropane-1-carbonitrile
CID 125472365
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
2-methyl-3-pyridin-3-ylpentan-3-ol
CID 60924070
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
trimethyl-(4-phenyl-2-pyridin-3-ylbut-3-yn-2-yl)oxysilane
CID 10990100
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
3-[2-(3-methylphenyl)ethynyl]pyridine
CID 67047652
4-pyridin-3-ylbut-3-yn-2-ol
CID 11147806
3-hydroxy-3-pyridin-3-ylbutanenitrile
CID 165356102
2-pyridin-3-ylethynylboronic acid
CID 57416299

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol?
The IUPAC name of 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol (CID 19827483) is 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol?
The canonical SMILES for 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol is CCC(C)(C)C(O)(C#Cc1cccnc1)c1cncnc1.
What is the InChIKey of 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol?
The InChIKey is VTYYIMCYHMIEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-16(2,3)17(21,15-11-19-13-20-12-15)8-7-14-6-5-9-18-10-14/h5-6,9-13,21H,4H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol?
4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol has a molecular weight of 281.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-pyridin-3-yl-3-pyrimidin-5-ylhex-1-yn-3-ol is sourced from PubChem (CID 19827483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).