4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide

C17H20BrN5O — CID 122320103

IUPAC4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN5O/c1-22(2)15-14(11-19-17(21-15)23-9-3-4-10-23)20-16(24)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeySSTNPYLJYHXZTO-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.16
Rot. Bonds4

About 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide

4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide (PubChem CID 122320103) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
PubChem CID122320103
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN5O/c1-22(2)15-14(11-19-17(21-15)23-9-3-4-10-23)20-16(24)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeySSTNPYLJYHXZTO-UHFFFAOYSA-N
XLogP3.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
CID 122320160
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
CID 91969402
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 122320377
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
CID 122320121

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide?
The IUPAC name of 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide (CID 122320103) is 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide is CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide?
The InChIKey is SSTNPYLJYHXZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-22(2)15-14(11-19-17(21-15)23-9-3-4-10-23)20-16(24)12-5-7-13(18)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,20,24).
What are the key properties of 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide?
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide has a molecular weight of 390.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 122320103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).