N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide

C16H19BrN4O — CID 109297242

IUPACN-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C16H19BrN4O/c1-4-11(3)19-16-18-8-7-14(21-16)15(22)20-13-6-5-12(17)9-10(13)2/h5-9,11H,4H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeySYXRNRKPZZMHHJ-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.01
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide

N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109297242) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109297242
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C16H19BrN4O/c1-4-11(3)19-16-18-8-7-14(21-16)15(22)20-13-6-5-12(17)9-10(13)2/h5-9,11H,4H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeySYXRNRKPZZMHHJ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319418
2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109297209
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
CID 109217034
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
2-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109297102
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297252
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109249103
2-(butan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109297091

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide (CID 109297242) is N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide is CCC(C)Nc1nccc(C(=O)Nc2ccc(Br)cc2C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is SYXRNRKPZZMHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-4-11(3)19-16-18-8-7-14(21-16)15(22)20-13-6-5-12(17)9-10(13)2/h5-9,11H,4H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide?
N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 4.01, 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-(butan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).