N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide

C18H23BrN4O — CID 112847506

IUPACN-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(Br)cc2)nc(C)n1
InChIInChI=1S/C18H23BrN4O/c1-4-10-23(11-5-2)17-12-16(20-13(3)21-17)18(24)22-15-8-6-14(19)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,24)
InChIKeyKNQTXYOZSIFNLF-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.43
Rot. Bonds7

About N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide

N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112847506) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID112847506
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC NameN-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(Br)cc2)nc(C)n1
InChIInChI=1S/C18H23BrN4O/c1-4-10-23(11-5-2)17-12-16(20-13(3)21-17)18(24)22-15-8-6-14(19)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,24)
InChIKeyKNQTXYOZSIFNLF-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847511
6-(dipropylamino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847508
N-(2,3-dimethylphenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847488
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
CID 109361668
N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175913
6-(dipropylamino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846812
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
6-(dipropylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369267
N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373325
N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289084
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370613

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide (CID 112847506) is N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(Br)cc2)nc(C)n1.
What is the InChIKey of N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is KNQTXYOZSIFNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-4-10-23(11-5-2)17-12-16(20-13(3)21-17)18(24)22-15-8-6-14(19)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide?
N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).