4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide

C17H19BrN4O — CID 122318023

IUPAC4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H19BrN4O/c1-12-10-16(22-8-2-3-9-22)21-15(20-12)11-19-17(23)13-4-6-14(18)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,23)
InChIKeyMEWWQGJHJKSIHT-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.08
Rot. Bonds4

About 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide

4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 122318023) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID122318023
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H19BrN4O/c1-12-10-16(22-8-2-3-9-22)21-15(20-12)11-19-17(23)13-4-6-14(18)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,23)
InChIKeyMEWWQGJHJKSIHT-UHFFFAOYSA-N
XLogP3.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318242
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067
4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122317877
4-bromo-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122318277
3-fluoro-4-methoxy-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122317873
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318097
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122317863
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-3,5-dinitrobenzamide
CID 122318432
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide (CID 122318023) is 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide is Cc1cc(N2CCCC2)nc(CNC(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is MEWWQGJHJKSIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-10-16(22-8-2-3-9-22)21-15(20-12)11-19-17(23)13-4-6-14(18)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,23).
What are the key properties of 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide?
4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 122318023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).