2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile

C8H8ClN3 — CID 84768646

IUPAC2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile
SMILESCCc1ncnc(CC#N)c1Cl
InChIInChI=1S/C8H8ClN3/c1-2-6-8(9)7(3-4-10)12-5-11-6/h5H,2-3H2,1H3
InChIKeySZTNGEZQZZXQMQ-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.76
Rot. Bonds2

About 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile

2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile (PubChem CID 84768646) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile
PubChem CID84768646
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile
SMILESCCc1ncnc(CC#N)c1Cl
InChIInChI=1S/C8H8ClN3/c1-2-6-8(9)7(3-4-10)12-5-11-6/h5H,2-3H2,1H3
InChIKeySZTNGEZQZZXQMQ-UHFFFAOYSA-N
XLogP1.76
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-6-ethylpyrimidine
CID 11137668
2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile
CID 84767323
2-(4-bromo-3-chloro-2-pyridinyl)acetonitrile
CID 130893900
4,6-diethyl-5-methylpyrimidine
CID 56994655
2-(4,6-dimethylpyrimidin-5-yl)acetonitrile
CID 84763015
4,6-diethylpyrimidin-5-amine
CID 15585361
2-(5-chloro-6-ethylpyrimidin-4-yl)oxyacetic acid
CID 18700276
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
CID 117063434
2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 134674914
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
CID 84764251
2-[3-chloro-4-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075523

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile?
The IUPAC name of 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile (CID 84768646) is 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile?
The canonical SMILES for 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile is CCc1ncnc(CC#N)c1Cl.
What is the InChIKey of 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile?
The InChIKey is SZTNGEZQZZXQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-2-6-8(9)7(3-4-10)12-5-11-6/h5H,2-3H2,1H3.
What are the key properties of 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile?
2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile has a molecular weight of 181.63 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile is sourced from PubChem (CID 84768646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).