N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C17H21BrN4O — CID 109362090

IUPACN-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCC(C)C)cc(C(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C17H21BrN4O/c1-10(2)9-19-16-8-15(20-12(4)21-16)17(23)22-14-6-5-13(18)7-11(14)3/h5-8,10H,9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyXNCQIDSEZQDYGT-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.18
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109362090) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109362090
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCC(C)C)cc(C(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C17H21BrN4O/c1-10(2)9-19-16-8-15(20-12(4)21-16)17(23)22-14-6-5-13(18)7-11(14)3/h5-8,10H,9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyXNCQIDSEZQDYGT-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362045
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846561
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319418
6-(4-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362242
N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195688
2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361353
6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373700
N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62186794
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109362090) is N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide is Cc1nc(NCC(C)C)cc(C(=O)Nc2ccc(Br)cc2C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is XNCQIDSEZQDYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-10(2)9-19-16-8-15(20-12(4)21-16)17(23)22-14-6-5-13(18)7-11(14)3/h5-8,10H,9H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).