2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine

C25H24N8 — CID 169265970

IUPAC2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine
SMILESCc1nc2ccc(Nc3nccc(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cn2c1C
InChIInChI=1S/C25H24N8/c1-16-17(2)33-15-20(6-8-23(33)28-16)29-24-26-10-9-22(30-24)18-5-7-21-19(13-18)14-27-25(31-21)32-11-3-4-12-32/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,26,29,30)
InChIKeyCEPAGGUNHNATFA-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.70
Rot. Bonds4

About 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine

2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine (PubChem CID 169265970) has the molecular formula C25H24N8 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine
PubChem CID169265970
Molecular FormulaC25H24N8
Molecular Weight436.52 g/mol
Exact Mass436.21
IUPAC Name2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine
SMILESCc1nc2ccc(Nc3nccc(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cn2c1C
InChIInChI=1S/C25H24N8/c1-16-17(2)33-15-20(6-8-23(33)28-16)29-24-26-10-9-22(30-24)18-5-7-21-19(13-18)14-27-25(31-21)32-11-3-4-12-32/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,26,29,30)
InChIKeyCEPAGGUNHNATFA-UHFFFAOYSA-N
XLogP4.70
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine with MolForge

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Related Compounds

[(3R)-3-fluoropyrrolidin-1-yl]-[4-[[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 169265972
tert-butyl 4-[4-[[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]cyclohexa-1,3-dien-1-yl]piperazine-1-carboxylate
CID 169265926
1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol
CID 169265951
2-[4-[3-fluoro-4-[[4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
CID 177269581
4-[[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 169265881
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 59198168
2-pyrrolidin-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 169265947
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[6-(3-piperidin-1-ylpropyl)-3-pyridinyl]pyrimidin-2-amine
CID 147892582
(2S)-2-hydroxy-N-[4-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]propanamide
CID 70313966
N-ethyl-4-(2-methylquinolin-6-yl)pyrimidin-2-amine
CID 81221340

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine (CID 169265970) is 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine is Cc1nc2ccc(Nc3nccc(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cn2c1C.
What is the InChIKey of 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine?
The InChIKey is CEPAGGUNHNATFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8/c1-16-17(2)33-15-20(6-8-23(33)28-16)29-24-26-10-9-22(30-24)18-5-7-21-19(13-18)14-27-25(31-21)32-11-3-4-12-32/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,26,29,30).
What are the key properties of 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine?
2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine has a molecular weight of 436.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 169265970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).