6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide

C16H19BrN4O — CID 109353932

IUPAC6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide
SMILESCc1cc(Br)ccc1Nc1cc(C(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C16H19BrN4O/c1-10-7-11(17)5-6-12(10)20-14-8-13(18-9-19-14)15(22)21-16(2,3)4/h5-9H,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyYWPQVROETDSEPT-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.82
Rot. Bonds3

About 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide

6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide (PubChem CID 109353932) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide
PubChem CID109353932
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide
SMILESCc1cc(Br)ccc1Nc1cc(C(=O)NC(C)(C)C)ncn1
InChIInChI=1S/C16H19BrN4O/c1-10-7-11(17)5-6-12(10)20-14-8-13(18-9-19-14)15(22)21-16(2,3)4/h5-9H,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyYWPQVROETDSEPT-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338601
6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344379
6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
N-tert-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109353885
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416284
2-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195124
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
3-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193175
6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867019
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338316
N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
CID 113050148

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide (CID 109353932) is 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide is Cc1cc(Br)ccc1Nc1cc(C(=O)NC(C)(C)C)ncn1.
What is the InChIKey of 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide?
The InChIKey is YWPQVROETDSEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10-7-11(17)5-6-12(10)20-14-8-13(18-9-19-14)15(22)21-16(2,3)4/h5-9H,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide?
6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide is sourced from PubChem (CID 109353932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).