N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide

C17H22BrN5O — CID 109366096

IUPACN-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H22BrN5O/c1-11-5-6-13(9-14(11)18)22-17(24)15-10-16(21-12(2)20-15)19-7-8-23(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,22,24)(H,19,20,21)
InChIKeyHIFNZDIGVKVPKY-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.08
Rot. Bonds6

About N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide

N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109366096) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109366096
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC NameN-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C17H22BrN5O/c1-11-5-6-13(9-14(11)18)22-17(24)15-10-16(21-12(2)20-15)19-7-8-23(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,22,24)(H,19,20,21)
InChIKeyHIFNZDIGVKVPKY-UHFFFAOYSA-N
XLogP3.08
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366104
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
CID 109361668
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185609
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109365996
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366003

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109366096) is N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide is Cc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is HIFNZDIGVKVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-11-5-6-13(9-14(11)18)22-17(24)15-10-16(21-12(2)20-15)19-7-8-23(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,22,24)(H,19,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).