2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile

C16H17N5O — CID 133497850

IUPAC2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile
SMILESCCc1cc(N2CC(O)(CC#N)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H17N5O/c1-2-13-9-14(21-10-16(22,11-21)5-6-17)20-15(19-13)12-3-7-18-8-4-12/h3-4,7-9,22H,2,5,10-11H2,1H3
InChIKeyHTBZQDTYULUMMJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.57
Rot. Bonds4

About 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile

2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile (PubChem CID 133497850) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile
PubChem CID133497850
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile
SMILESCCc1cc(N2CC(O)(CC#N)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H17N5O/c1-2-13-9-14(21-10-16(22,11-21)5-6-17)20-15(19-13)12-3-7-18-8-4-12/h3-4,7-9,22H,2,5,10-11H2,1H3
InChIKeyHTBZQDTYULUMMJ-UHFFFAOYSA-N
XLogP1.57
TPSA85.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 75396075
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 133314479
2,2-diethyl-4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133496764
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295060
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 133327702
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile (CID 133497850) is 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile is CCc1cc(N2CC(O)(CC#N)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile?
The InChIKey is HTBZQDTYULUMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-13-9-14(21-10-16(22,11-21)5-6-17)20-15(19-13)12-3-7-18-8-4-12/h3-4,7-9,22H,2,5,10-11H2,1H3.
What are the key properties of 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile?
2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile has a molecular weight of 295.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-hydroxyazetidin-3-yl]acetonitrile is sourced from PubChem (CID 133497850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).