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

C17H13N5 — CID 166635299

IUPAC2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2cccnc2)n1
InChIInChI=1S/C17H13N5/c1-19-17-21-15(12-6-3-2-4-7-12)14(10-18)16(22-17)13-8-5-9-20-11-13/h2-9,11H,1H3,(H,19,21,22)
InChIKeyIQVVMMATRINMHC-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.12
Rot. Bonds3

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

2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile (PubChem CID 166635299) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile
PubChem CID166635299
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2cccnc2)n1
InChIInChI=1S/C17H13N5/c1-19-17-21-15(12-6-3-2-4-7-12)14(10-18)16(22-17)13-8-5-9-20-11-13/h2-9,11H,1H3,(H,19,21,22)
InChIKeyIQVVMMATRINMHC-UHFFFAOYSA-N
XLogP3.12
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
CID 166627923
2-methylsulfanyl-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
CID 136795080
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 166629697
2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388
4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile
CID 135388050
6-oxo-8-pyridin-3-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile
CID 166990364
N-methyl-4-pyridin-3-yloxyquinazolin-2-amine
CID 80881479
4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
CID 135388053
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959
1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile
CID 121495989
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile (CID 166635299) is 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile is CNc1nc(-c2ccccc2)c(C#N)c(-c2cccnc2)n1.
What is the InChIKey of 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile?
The InChIKey is IQVVMMATRINMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-19-17-21-15(12-6-3-2-4-7-12)14(10-18)16(22-17)13-8-5-9-20-11-13/h2-9,11H,1H3,(H,19,21,22).
What are the key properties of 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile?
2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile has a molecular weight of 287.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166635299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).