N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide

C18H12BrN5O — CID 109358687

IUPACN-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(Nc2cc(C(=O)Nc3ccc(Br)cc3)ncn2)cc1
InChIInChI=1S/C18H12BrN5O/c19-13-3-7-15(8-4-13)24-18(25)16-9-17(22-11-21-16)23-14-5-1-12(10-20)2-6-14/h1-9,11H,(H,24,25)(H,21,22,23)
InChIKeyILIPQRXCIOMUNI-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.11
Rot. Bonds4

About N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide

N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide (PubChem CID 109358687) has the molecular formula C18H12BrN5O and a molecular weight of 394.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
PubChem CID109358687
Molecular FormulaC18H12BrN5O
Molecular Weight394.23 g/mol
Exact Mass393.02
IUPAC NameN-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(Nc2cc(C(=O)Nc3ccc(Br)cc3)ncn2)cc1
InChIInChI=1S/C18H12BrN5O/c19-13-3-7-15(8-4-13)24-18(25)16-9-17(22-11-21-16)23-14-5-1-12(10-20)2-6-14/h1-9,11H,(H,24,25)(H,21,22,23)
InChIKeyILIPQRXCIOMUNI-UHFFFAOYSA-N
XLogP4.11
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109358549
N-(4-cyanophenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109359625
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631
methyl 3-[[6-[(4-cyanophenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109359511

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide (CID 109358687) is N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide is N#Cc1ccc(Nc2cc(C(=O)Nc3ccc(Br)cc3)ncn2)cc1.
What is the InChIKey of N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The InChIKey is ILIPQRXCIOMUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O/c19-13-3-7-15(8-4-13)24-18(25)16-9-17(22-11-21-16)23-14-5-1-12(10-20)2-6-14/h1-9,11H,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).