4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile

C18H15N5 — CID 1480454

IUPAC4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(-c2cccnc2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C18H15N5/c1-23(2)18-15(11-19)16(13-7-4-3-5-8-13)21-17(22-18)14-9-6-10-20-12-14/h3-10,12H,1-2H3
InChIKeyZGYOQLZWCWLUAT-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.14
Rot. Bonds3

About 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile

4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile (PubChem CID 1480454) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile
PubChem CID1480454
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(-c2cccnc2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C18H15N5/c1-23(2)18-15(11-19)16(13-7-4-3-5-8-13)21-17(22-18)14-9-6-10-20-12-14/h3-10,12H,1-2H3
InChIKeyZGYOQLZWCWLUAT-UHFFFAOYSA-N
XLogP3.14
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile (CID 1480454) is 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile is CN(C)c1nc(-c2cccnc2)nc(-c2ccccc2)c1C#N.
What is the InChIKey of 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The InChIKey is ZGYOQLZWCWLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-23(2)18-15(11-19)16(13-7-4-3-5-8-13)21-17(22-18)14-9-6-10-20-12-14/h3-10,12H,1-2H3.
What are the key properties of 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile?
4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile has a molecular weight of 301.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1480454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).