N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide

C16H19BrN4O — CID 109361668

IUPACN-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(Br)cc2)nc(C)n1
InChIInChI=1S/C16H19BrN4O/c1-3-4-9-18-15-10-14(19-11(2)20-15)16(22)21-13-7-5-12(17)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyMRPRDCFCNBEPCK-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.01
Rot. Bonds6

About N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide

N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109361668) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109361668
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(Br)cc2)nc(C)n1
InChIInChI=1S/C16H19BrN4O/c1-3-4-9-18-15-10-14(19-11(2)20-15)16(22)21-13-7-5-12(17)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyMRPRDCFCNBEPCK-UHFFFAOYSA-N
XLogP4.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112846753
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
methyl 3-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109361689
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846783
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide (CID 109361668) is N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide is CCCCNc1cc(C(=O)Nc2ccc(Br)cc2)nc(C)n1.
What is the InChIKey of N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is MRPRDCFCNBEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-3-4-9-18-15-10-14(19-11(2)20-15)16(22)21-13-7-5-12(17)6-8-13/h5-8,10H,3-4,9H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide?
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).