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

C18H14ClN5 — CID 1480439

IUPAC4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(-c2cccnc2)nc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C18H14ClN5/c1-24(2)18-15(10-20)16(12-5-7-14(19)8-6-12)22-17(23-18)13-4-3-9-21-11-13/h3-9,11H,1-2H3
InChIKeyMNMQMEVVRYQOJH-UHFFFAOYSA-N
MW335.80 g/mol
LogP3.80
Rot. Bonds3

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

4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile (PubChem CID 1480439) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile
PubChem CID1480439
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC Name4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1nc(-c2cccnc2)nc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C18H14ClN5/c1-24(2)18-15(10-20)16(12-5-7-14(19)8-6-12)22-17(23-18)13-4-3-9-21-11-13/h3-9,11H,1-2H3
InChIKeyMNMQMEVVRYQOJH-UHFFFAOYSA-N
XLogP3.80
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile (CID 1480439) is 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile is CN(C)c1nc(-c2cccnc2)nc(-c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile?
The InChIKey is MNMQMEVVRYQOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-24(2)18-15(10-20)16(12-5-7-14(19)8-6-12)22-17(23-18)13-4-3-9-21-11-13/h3-9,11H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile?
4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile has a molecular weight of 335.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(dimethylamino)-2-pyridin-3-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1480439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).