N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide

C15H17BrN4O — CID 109353354

IUPACN-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)14-9-13(17-10-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyQDQYGUNUGITCPZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.34
Rot. Bonds5

About N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide

N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 109353354) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
PubChem CID109353354
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)14-9-13(17-10-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyQDQYGUNUGITCPZ-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353333
N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353335
6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109353352
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(3-bromophenyl)-4-(diethylamino)benzamide
CID 690499
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide (CID 109353354) is N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)Nc2cccc(Br)c2)ncn1.
What is the InChIKey of N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is QDQYGUNUGITCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-20(4-2)14-9-13(17-10-18-14)15(21)19-12-7-5-6-11(16)8-12/h5-10H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).