N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

C15H18BrN5O — CID 109301195

IUPACN-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1nccc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C15H18BrN5O/c1-21(2)9-8-18-15-17-7-6-13(20-15)14(22)19-12-5-3-4-11(16)10-12/h3-7,10H,8-9H2,1-2H3,(H,19,22)(H,17,18,20)
InChIKeyHYJFSOQWKWFXHH-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.46
Rot. Bonds6

About N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109301195) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
PubChem CID109301195
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1nccc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C15H18BrN5O/c1-21(2)9-8-18-15-17-7-6-13(20-15)14(22)19-12-5-3-4-11(16)10-12/h3-7,10H,8-9H2,1-2H3,(H,19,22)(H,17,18,20)
InChIKeyHYJFSOQWKWFXHH-UHFFFAOYSA-N
XLogP2.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109253002
N-(2,6-diethylphenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301141
N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301147
2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109301137
N-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324937
N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301799
2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295333
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
N-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301826
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059
methyl 4-[[2-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109301809
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301218

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (CID 109301195) is N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is CN(C)CCNc1nccc(C(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is HYJFSOQWKWFXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-21(2)9-8-18-15-17-7-6-13(20-15)14(22)19-12-5-3-4-11(16)10-12/h3-7,10H,8-9H2,1-2H3,(H,19,22)(H,17,18,20).
What are the key properties of N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109301195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).