2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide

C16H20BrN5O — CID 109325154

IUPAC2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)C)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C16H20BrN5O/c1-11-10-14(15(23)18-8-9-22(2)3)21-16(19-11)20-13-7-5-4-6-12(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyPRCXSMXCHSBERO-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide

2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109325154) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109325154
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)C)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C16H20BrN5O/c1-11-10-14(15(23)18-8-9-22(2)3)21-16(19-11)20-13-7-5-4-6-12(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyPRCXSMXCHSBERO-UHFFFAOYSA-N
XLogP2.58
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromoanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324165
N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109325125
2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325183
2-(2-bromoanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321144
2-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325164
2-(2-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301990
2-(2-bromoanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330078
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132
6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109333426
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109325154) is 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCN(C)C)nc(Nc2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is PRCXSMXCHSBERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-11-10-14(15(23)18-8-9-22(2)3)21-16(19-11)20-13-7-5-4-6-12(13)17/h4-7,10H,8-9H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).