2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide

C15H17BrN4O — CID 109310871

IUPAC2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)14(21)13-9-10-17-15(19-13)18-12-7-5-11(16)6-8-12/h5-10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyHZAOLLGEUAOUFC-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide

2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide (PubChem CID 109310871) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide
PubChem CID109310871
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)14(21)13-9-10-17-15(19-13)18-12-7-5-11(16)6-8-12/h5-10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyHZAOLLGEUAOUFC-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867
N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109310906
2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299902
N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295192
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676
[2-(4-bromoanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302620
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
[2-(4-bromoanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297774
[2-(4-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302300
N-butyl-2-[4-(diethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109312384
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894
2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313014

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide (CID 109310871) is 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1ccnc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide?
The InChIKey is HZAOLLGEUAOUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-20(4-2)14(21)13-9-10-17-15(19-13)18-12-7-5-11(16)6-8-12/h5-10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide?
2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109310871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).