2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile

C13H11ClN4 — CID 159434741

IUPAC2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile
SMILESCCc1cc(-c2cc(Cl)ccc2C#N)nc(N)n1
InChIInChI=1S/C13H11ClN4/c1-2-10-6-12(18-13(16)17-10)11-5-9(14)4-3-8(11)7-15/h3-6H,2H2,1H3,(H2,16,17,18)
InChIKeyGMADFKRMGBLQSE-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.81
Rot. Bonds2

About 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile

2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile (PubChem CID 159434741) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile
PubChem CID159434741
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile
SMILESCCc1cc(-c2cc(Cl)ccc2C#N)nc(N)n1
InChIInChI=1S/C13H11ClN4/c1-2-10-6-12(18-13(16)17-10)11-5-9(14)4-3-8(11)7-15/h3-6H,2H2,1H3,(H2,16,17,18)
InChIKeyGMADFKRMGBLQSE-UHFFFAOYSA-N
XLogP2.81
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331637
4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331636
2-(2,4-dichlorophenyl)-6-ethylpyrimidin-4-amine
CID 62203520
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406
4-(5-chloro-2-methylphenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine
CID 158483873
4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine
CID 15435579
6-(2,4-dichlorophenyl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252282
3-[2-amino-6-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methoxybenzonitrile
CID 135272694
4-ethyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 25164369
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile
CID 138743550
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
CID 158829270

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile?
The IUPAC name of 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile (CID 159434741) is 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile.
What is the SMILES notation for 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile?
The canonical SMILES for 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile is CCc1cc(-c2cc(Cl)ccc2C#N)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile?
The InChIKey is GMADFKRMGBLQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-2-10-6-12(18-13(16)17-10)11-5-9(14)4-3-8(11)7-15/h3-6H,2H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile?
2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile has a molecular weight of 258.71 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-ethylpyrimidin-4-yl)-4-chlorobenzonitrile is sourced from PubChem (CID 159434741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).