6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide

C15H17BrN4O — CID 109338601

IUPAC6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccc(Br)cc2C)ncn1
InChIInChI=1S/C15H17BrN4O/c1-3-6-17-15(21)13-8-14(19-9-18-13)20-12-5-4-11(16)7-10(12)2/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyVHXDQOVTPPDOKQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.43
Rot. Bonds5

About 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide

6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109338601) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109338601
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccc(Br)cc2C)ncn1
InChIInChI=1S/C15H17BrN4O/c1-3-6-17-15(21)13-8-14(19-9-18-13)20-12-5-4-11(16)7-10(12)2/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyVHXDQOVTPPDOKQ-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide
CID 109353932
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
CID 109180783
6-(2-methyl-6-propan-2-ylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338546
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide
CID 109338626

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide (CID 109338601) is 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2ccc(Br)cc2C)ncn1.
What is the InChIKey of 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is VHXDQOVTPPDOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-6-17-15(21)13-8-14(19-9-18-13)20-12-5-4-11(16)7-10(12)2/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide?
6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.43, 5 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-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).