N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide

C19H17BrN4O — CID 112848531

IUPACN-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2Br)cc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H17BrN4O/c1-13-21-17(19(25)23-16-11-7-6-10-15(16)20)12-18(22-13)24(2)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,25)
InChIKeyCRFURNUISRDRLP-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.57
Rot. Bonds4

About N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide

N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 112848531) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID112848531
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2Br)cc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H17BrN4O/c1-13-21-17(19(25)23-16-11-7-6-10-15(16)20)12-18(22-13)24(2)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,25)
InChIKeyCRFURNUISRDRLP-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848484
2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488
N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848508
N-(3-chloro-4-fluorophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848502
N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849486
N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
CID 109362467
6-[benzyl(methyl)amino]-N-(2-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369396
N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110862839
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide (CID 112848531) is N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2Br)cc(N(C)c2ccccc2)n1.
What is the InChIKey of N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is CRFURNUISRDRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-21-17(19(25)23-16-11-7-6-10-15(16)20)12-18(22-13)24(2)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide?
N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112848531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).