N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C16H17BrN4O — CID 20959549

IUPACN-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCC2)ncc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN4O/c1-11-14(10-18-16(19-11)21-8-2-3-9-21)15(22)20-13-6-4-12(17)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,20,22)
InChIKeyAJBNQJGYMOBDQJ-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.40
Rot. Bonds3

About N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20959549) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20959549
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC NameN-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCC2)ncc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN4O/c1-11-14(10-18-16(19-11)21-8-2-3-9-21)15(22)20-13-6-4-12(17)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,20,22)
InChIKeyAJBNQJGYMOBDQJ-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20959549) is N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCC2)ncc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is AJBNQJGYMOBDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c1-11-14(10-18-16(19-11)21-8-2-3-9-21)15(22)20-13-6-4-12(17)5-7-13/h4-7,10H,2-3,8-9H2,1H3,(H,20,22).
What are the key properties of N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).