4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine

C17H20ClN7 — CID 166302171

IUPAC4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCN(Cc1cnc2ccc(Cl)cn12)c1nccc(N2CCC(N)C2)n1
InChIInChI=1S/C17H20ClN7/c1-23(11-14-8-21-15-3-2-12(18)9-25(14)15)17-20-6-4-16(22-17)24-7-5-13(19)10-24/h2-4,6,8-9,13H,5,7,10-11,19H2,1H3
InChIKeyRVYUQKRKRONWQW-UHFFFAOYSA-N
MW357.85 g/mol
LogP1.95
Rot. Bonds4

About 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine

4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 166302171) has the molecular formula C17H20ClN7 and a molecular weight of 357.85 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine
PubChem CID166302171
Molecular FormulaC17H20ClN7
Molecular Weight357.85 g/mol
Exact Mass357.15
IUPAC Name4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCN(Cc1cnc2ccc(Cl)cn12)c1nccc(N2CCC(N)C2)n1
InChIInChI=1S/C17H20ClN7/c1-23(11-14-8-21-15-3-2-12(18)9-25(14)15)17-20-6-4-16(22-17)24-7-5-13(19)10-24/h2-4,6,8-9,13H,5,7,10-11,19H2,1H3
InChIKeyRVYUQKRKRONWQW-UHFFFAOYSA-N
XLogP1.95
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
CID 139344427
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 139357007
1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781403
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344807
(3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95220506
1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50963891
4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 114800719
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
(3R)-1-[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 98740871

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine (CID 166302171) is 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine is CN(Cc1cnc2ccc(Cl)cn12)c1nccc(N2CCC(N)C2)n1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is RVYUQKRKRONWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7/c1-23(11-14-8-21-15-3-2-12(18)9-25(14)15)17-20-6-4-16(22-17)24-7-5-13(19)10-24/h2-4,6,8-9,13H,5,7,10-11,19H2,1H3.
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine?
4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 357.85 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 166302171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).