4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile

C18H14N4 — CID 1480496

IUPAC4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C18H14N4/c1-20-18-15(12-19)16(13-8-4-2-5-9-13)21-17(22-18)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21,22)
InChIKeyBXCYHNBEQARRGY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.72
Rot. Bonds3

About 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile

4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 1480496) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
PubChem CID1480496
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C18H14N4/c1-20-18-15(12-19)16(13-8-4-2-5-9-13)21-17(22-18)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21,22)
InChIKeyBXCYHNBEQARRGY-UHFFFAOYSA-N
XLogP3.72
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile (CID 1480496) is 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile is CNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N.
What is the InChIKey of 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is BXCYHNBEQARRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-20-18-15(12-19)16(13-8-4-2-5-9-13)21-17(22-18)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21,22).
What are the key properties of 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile?
4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 286.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 1480496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).