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

C18H15BrN4O — CID 109356370

IUPACN-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C18H15BrN4O/c1-23(15-5-3-2-4-6-15)17-11-16(20-12-21-17)18(24)22-14-9-7-13(19)8-10-14/h2-12H,1H3,(H,22,24)
InChIKeyVUFMGNITPOBRDL-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.26
Rot. Bonds4

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

N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109356370) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109356370
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC NameN-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C18H15BrN4O/c1-23(15-5-3-2-4-6-15)17-11-16(20-12-21-17)18(24)22-14-9-7-13(19)8-10-14/h2-12H,1H3,(H,22,24)
InChIKeyVUFMGNITPOBRDL-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176388
N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356373
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347681
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848508
6-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109354130

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide (CID 109356370) is N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide is CN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ncn1.
What is the InChIKey of N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is VUFMGNITPOBRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-23(15-5-3-2-4-6-15)17-11-16(20-12-21-17)18(24)22-14-9-7-13(19)8-10-14/h2-12H,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide?
N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).