4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile

C18H13BrN4 — CID 166627923

IUPAC4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H13BrN4/c1-21-18-22-16(12-5-3-2-4-6-12)15(11-20)17(23-18)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,21,22,23)
InChIKeyOLKDPDMHIARSOB-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.49
Rot. Bonds3

About 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile

4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166627923) has the molecular formula C18H13BrN4 and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166627923
Molecular FormulaC18H13BrN4
Molecular Weight365.23 g/mol
Exact Mass364.03
IUPAC Name4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H13BrN4/c1-21-18-22-16(12-5-3-2-4-6-12)15(11-20)17(23-18)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,21,22,23)
InChIKeyOLKDPDMHIARSOB-UHFFFAOYSA-N
XLogP4.49
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Bromophenyl)-6-ethylpyrimidine-2,4-diamine
CID 134626
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
2-Amino-4,6-diphenylpyrimidine-5-carbonitrile
CID 18507264
4,5-Dibromo-2,6-diphenylpyrimidine
CID 1023869
BW 50-322
CID 134623
2-{2-[(2-Bromo-4-isopropyl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl}-benzonitrile
CID 18691324
2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 57393996
4-[[4-[(4-Bromophenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 122190941
(4,6-Diphenyl-pyrimidin-2-yl)-methyl-amine
CID 739528
2-(4-Bromophenyl)-4,6-diphenylpyrimidine
CID 609721
4-[[4-[(4-Bromophenyl)-chloro-methyl]-6-methyl-pyrimidin-2-yl]amino]benzonitrile
CID 86580223

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile (CID 166627923) is 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile is CNc1nc(-c2ccccc2)c(C#N)c(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is OLKDPDMHIARSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4/c1-21-18-22-16(12-5-3-2-4-6-12)15(11-20)17(23-18)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,21,22,23).
What are the key properties of 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile?
4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 365.23 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(methylamino)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166627923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).