N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide

C15H13BrClN3O — CID 86939331

IUPACN-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide
SMILESCc1cc(Br)cc(Cl)c1NC(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C15H13BrClN3O/c1-8-6-10(16)7-11(17)13(8)20-15(21)12-4-5-18-14(19-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,20,21)
InChIKeyHQQNZXNPXPMSFS-UHFFFAOYSA-N
MW366.65 g/mol
LogP4.33
Rot. Bonds3

About N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide

N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide (PubChem CID 86939331) has the molecular formula C15H13BrClN3O and a molecular weight of 366.65 g/mol. Its IUPAC name is N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide
PubChem CID86939331
Molecular FormulaC15H13BrClN3O
Molecular Weight366.65 g/mol
Exact Mass364.99
IUPAC NameN-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide
SMILESCc1cc(Br)cc(Cl)c1NC(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C15H13BrClN3O/c1-8-6-10(16)7-11(17)13(8)20-15(21)12-4-5-18-14(19-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,20,21)
InChIKeyHQQNZXNPXPMSFS-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109309164
N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204288
N-(4-bromo-2,6-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62166688
2-cyclopropyl-N-dibenzofuran-3-ylpyrimidine-4-carboxamide
CID 86939315
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
chloro 2-cyclopropylpyrimidine-4-carboxylate
CID 130362648
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300081
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62185216
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
CID 86939297

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide (CID 86939331) is N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide is Cc1cc(Br)cc(Cl)c1NC(=O)c1ccnc(C2CC2)n1.
What is the InChIKey of N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide?
The InChIKey is HQQNZXNPXPMSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3O/c1-8-6-10(16)7-11(17)13(8)20-15(21)12-4-5-18-14(19-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide?
N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide has a molecular weight of 366.65 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chloro-6-methylphenyl)-2-cyclopropylpyrimidine-4-carboxamide is sourced from PubChem (CID 86939331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).