N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide

C17H20BrN5O — CID 109302496

IUPACN-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2nccc(C(=O)Nc3ccccc3Br)n2)CC1
InChIInChI=1S/C17H20BrN5O/c1-2-22-9-11-23(12-10-22)17-19-8-7-15(21-17)16(24)20-14-6-4-3-5-13(14)18/h3-8H,2,9-12H2,1H3,(H,20,24)
InChIKeyZGVZDZCSXXSGSY-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.63
Rot. Bonds4

About N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109302496) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109302496
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC NameN-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2nccc(C(=O)Nc3ccccc3Br)n2)CC1
InChIInChI=1S/C17H20BrN5O/c1-2-22-9-11-23(12-10-22)17-19-8-7-15(21-17)16(24)20-14-6-4-3-5-13(14)18/h3-8H,2,9-12H2,1H3,(H,20,24)
InChIKeyZGVZDZCSXXSGSY-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302460
N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302442
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109302434
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377
2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109303069
2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109302379
N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301231
N-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302498
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302129
2-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109302376
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552
2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109302496) is N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide is CCN1CCN(c2nccc(C(=O)Nc3ccccc3Br)n2)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is ZGVZDZCSXXSGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-2-22-9-11-23(12-10-22)17-19-8-7-15(21-17)16(24)20-14-6-4-3-5-13(14)18/h3-8H,2,9-12H2,1H3,(H,20,24).
What are the key properties of N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 390.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109302496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).