6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide

C16H19BrN4O — CID 109362278

IUPAC6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2Br)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H19BrN4O/c1-10(2)9-18-16(22)14-8-15(20-11(3)19-14)21-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyMQGUKDQTGFLYNK-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.68
Rot. Bonds5

About 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide

6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109362278) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109362278
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2Br)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H19BrN4O/c1-10(2)9-18-16(22)14-8-15(20-11(3)19-14)21-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyMQGUKDQTGFLYNK-UHFFFAOYSA-N
XLogP3.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromoanilino)-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361513
2-(2-bromoanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321144
6-(4-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362242
N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
CID 109362467
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109362188
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109362270
2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109360676
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
6-(2,6-difluoroanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846697
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304
6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846670

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109362278) is 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2Br)cc(C(=O)NCC(C)C)n1.
What is the InChIKey of 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is MQGUKDQTGFLYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10(2)9-18-16(22)14-8-15(20-11(3)19-14)21-13-7-5-4-6-12(13)17/h4-8,10H,9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).