4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile

C19H16N4O — CID 166632784

IUPAC4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(OC)c2)n1
InChIInChI=1S/C19H16N4O/c1-21-19-22-17(13-7-4-3-5-8-13)16(12-20)18(23-19)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3,(H,21,22,23)
InChIKeyDRBHUGDRIPBTOO-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.73
Rot. Bonds4

About 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile

4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166632784) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166632784
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(OC)c2)n1
InChIInChI=1S/C19H16N4O/c1-21-19-22-17(13-7-4-3-5-8-13)16(12-20)18(23-19)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3,(H,21,22,23)
InChIKeyDRBHUGDRIPBTOO-UHFFFAOYSA-N
XLogP3.73
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile (CID 166632784) is 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile is CNc1nc(-c2ccccc2)c(C#N)c(-c2cccc(OC)c2)n1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is DRBHUGDRIPBTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-21-19-22-17(13-7-4-3-5-8-13)16(12-20)18(23-19)14-9-6-10-15(11-14)24-2/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166632784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).