2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile

C18H15N5 — CID 164912151

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
SMILESCc1cc(C)nc(Nc2ncc(-c3ccccc3)cc2C#N)n1
InChIInChI=1S/C18H15N5/c1-12-8-13(2)22-18(21-12)23-17-15(10-19)9-16(11-20-17)14-6-4-3-5-7-14/h3-9,11H,1-2H3,(H,20,21,22,23)
InChIKeyLYMCNPDJKMDCKW-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.77
Rot. Bonds3

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile

2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile (PubChem CID 164912151) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
PubChem CID164912151
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
SMILESCc1cc(C)nc(Nc2ncc(-c3ccccc3)cc2C#N)n1
InChIInChI=1S/C18H15N5/c1-12-8-13(2)22-18(21-12)23-17-15(10-19)9-16(11-20-17)14-6-4-3-5-7-14/h3-9,11H,1-2H3,(H,20,21,22,23)
InChIKeyLYMCNPDJKMDCKW-UHFFFAOYSA-N
XLogP3.77
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile (CID 164912151) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile is Cc1cc(C)nc(Nc2ncc(-c3ccccc3)cc2C#N)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile?
The InChIKey is LYMCNPDJKMDCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-12-8-13(2)22-18(21-12)23-17-15(10-19)9-16(11-20-17)14-6-4-3-5-7-14/h3-9,11H,1-2H3,(H,20,21,22,23).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile has a molecular weight of 301.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).