7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C27H27N7 — CID 66676822

IUPAC7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)CC1CC(n2cc(-c3ccc4ccc(-c5ccccn5)nc4c3)c3c(N)ncnc32)C1
InChIInChI=1S/C27H27N7/c1-33(2)14-17-11-20(12-17)34-15-21(25-26(28)30-16-31-27(25)34)19-7-6-18-8-9-23(32-24(18)13-19)22-5-3-4-10-29-22/h3-10,13,15-17,20H,11-12,14H2,1-2H3,(H2,28,30,31)
InChIKeyXECFDWHGJFMAGS-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.80
Rot. Bonds5

About 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 66676822) has the molecular formula C27H27N7 and a molecular weight of 449.56 g/mol. Its IUPAC name is 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID66676822
Molecular FormulaC27H27N7
Molecular Weight449.56 g/mol
Exact Mass449.23
IUPAC Name7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)CC1CC(n2cc(-c3ccc4ccc(-c5ccccn5)nc4c3)c3c(N)ncnc32)C1
InChIInChI=1S/C27H27N7/c1-33(2)14-17-11-20(12-17)34-15-21(25-26(28)30-16-31-27(25)34)19-7-6-18-8-9-23(32-24(18)13-19)22-5-3-4-10-29-22/h3-10,13,15-17,20H,11-12,14H2,1-2H3,(H2,28,30,31)
InChIKeyXECFDWHGJFMAGS-UHFFFAOYSA-N
XLogP4.80
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutan-1-ol
CID 66676437
[3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl 4-methylcyclohexa-1,3-diene-1-sulfonate
CID 130348754
[4-[5-(6-chloro-2-pyridin-2-ylquinolin-7-yl)-4-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanamine
CID 69328063
(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 25034080
4-[4-amino-3-(2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxylic acid
CID 90825625
7-[3-(aminomethyl)cyclobutyl]-5-(2-benzyl-1H-indazol-2-ium-6-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 59376924
7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11495297
4-[[3-[4-amino-5-(2-pyridin-2-yl-3,4-dihydro-2H-chromen-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]-1-methylpiperazin-2-one
CID 53234499
4-[4-amino-5-(2-phenoxyquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxamide
CID 66675812
2-[4-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl]ethanol
CID 121334799
1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine
CID 142776731
7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 66677017

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 66676822) is 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CN(C)CC1CC(n2cc(-c3ccc4ccc(-c5ccccn5)nc4c3)c3c(N)ncnc32)C1.
What is the InChIKey of 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XECFDWHGJFMAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7/c1-33(2)14-17-11-20(12-17)34-15-21(25-26(28)30-16-31-27(25)34)19-7-6-18-8-9-23(32-24(18)13-19)22-5-3-4-10-29-22/h3-10,13,15-17,20H,11-12,14H2,1-2H3,(H2,28,30,31).
What are the key properties of 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 449.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66676822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).