6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile

C11H8ClN5 — CID 86621532

IUPAC6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(C#N)cn2)nc(Cl)n1
InChIInChI=1S/C11H8ClN5/c1-7-4-10(17-11(12)15-7)16-9-3-2-8(5-13)6-14-9/h2-4,6H,1H3,(H,14,15,16,17)
InChIKeyVBGUNUTVEKTFMY-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.45
Rot. Bonds2

About 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile

6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile (PubChem CID 86621532) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
PubChem CID86621532
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(C#N)cn2)nc(Cl)n1
InChIInChI=1S/C11H8ClN5/c1-7-4-10(17-11(12)15-7)16-9-3-2-8(5-13)6-14-9/h2-4,6H,1H3,(H,14,15,16,17)
InChIKeyVBGUNUTVEKTFMY-UHFFFAOYSA-N
XLogP2.45
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
CID 82120847
6-(2,6-dichloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 83078578
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
6-(2,5-dimethylanilino)pyridine-3-carbonitrile;ethane
CID 143918294
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
CID 24697637
6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 83087105
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876
6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
CID 47150241
4-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932222
6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
CID 55119031

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile (CID 86621532) is 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile is Cc1cc(Nc2ccc(C#N)cn2)nc(Cl)n1.
What is the InChIKey of 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile?
The InChIKey is VBGUNUTVEKTFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-7-4-10(17-11(12)15-7)16-9-3-2-8(5-13)6-14-9/h2-4,6H,1H3,(H,14,15,16,17).
What are the key properties of 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile?
6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile has a molecular weight of 245.67 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 86621532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).