8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde

C14H11BrN4O — CID 135148514

IUPAC8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde
SMILESCc1c(Br)cccc1Nc1cncn2c(C=O)cnc12
InChIInChI=1S/C14H11BrN4O/c1-9-11(15)3-2-4-12(9)18-13-6-16-8-19-10(7-20)5-17-14(13)19/h2-8,18H,1H3
InChIKeyLGOUPKIWJCIHIF-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.36
Rot. Bonds3

About 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde

8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde (PubChem CID 135148514) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde
PubChem CID135148514
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde
SMILESCc1c(Br)cccc1Nc1cncn2c(C=O)cnc12
InChIInChI=1S/C14H11BrN4O/c1-9-11(15)3-2-4-12(9)18-13-6-16-8-19-10(7-20)5-17-14(13)19/h2-8,18H,1H3
InChIKeyLGOUPKIWJCIHIF-UHFFFAOYSA-N
XLogP3.36
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(13S)-11-(4-bromophenyl)-13-methyl-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
CID 57381844
(13S)-11-(4-bromophenyl)-13-ethyl-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
CID 134132095
N-[2-(4-bromoanilino)ethyl]-2,6-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 134139426
N-[2-(2-methylanilino)-2-oxoethyl]-N-propylimidazo[1,2-a]pyridine-2-carboxamide
CID 4784872
3-[(3-bromophenyl)methyl-ethylamino]-N-tert-butyl-2-ethylimidazo[1,2-a]pyridine-6-carboxamide
CID 49792192
N-(4-bromophenyl)-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 84291073
(13S)-11-(2-bromophenyl)-13-methyl-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
CID 134135205
N-[2-[(4-bromophenyl)methylamino]ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 145960689
2-(4-Bromophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2757116
Imidazo[1,2-a]quinoline-2-carbaldehyde
CID 13770453
8-Bromoimidazo(1,2-a)pyridine-3-carbaldehyde
CID 58449869
(13R)-11-(4-bromophenyl)-13-methyl-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
CID 76336279

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde?
The IUPAC name of 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde (CID 135148514) is 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde?
The canonical SMILES for 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde is Cc1c(Br)cccc1Nc1cncn2c(C=O)cnc12.
What is the InChIKey of 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde?
The InChIKey is LGOUPKIWJCIHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-9-11(15)3-2-4-12(9)18-13-6-16-8-19-10(7-20)5-17-14(13)19/h2-8,18H,1H3.
What are the key properties of 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde?
8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde has a molecular weight of 331.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-2-methylanilino)imidazo[1,2-c]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 135148514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).