N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide

C15H18BrN5O — CID 109253002

IUPACN-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
SMILESCN(C)CCNc1ncc(C(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C15H18BrN5O/c1-21(2)7-6-17-15-18-9-11(10-19-15)14(22)20-13-5-3-4-12(16)8-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,22)(H,17,18,19)
InChIKeyBDAUONLTGHORFN-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.46
Rot. Bonds6

About N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide

N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109253002) 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-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
PubChem CID109253002
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
SMILESCN(C)CCNc1ncc(C(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C15H18BrN5O/c1-21(2)7-6-17-15-18-9-11(10-19-15)14(22)20-13-5-3-4-12(16)8-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,22)(H,17,18,19)
InChIKeyBDAUONLTGHORFN-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-4-carboxamide
CID 109301195
N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154345
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109252945
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253577
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247938
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253568

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide (CID 109253002) is N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide is CN(C)CCNc1ncc(C(=O)Nc2cccc(Br)c2)cn1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is BDAUONLTGHORFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-21(2)7-6-17-15-18-9-11(10-19-15)14(22)20-13-5-3-4-12(16)8-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,22)(H,17,18,19).
What are the key properties of N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide?
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 109253002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).