1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone

C15H22N4O — CID 171348818

IUPAC1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone
SMILESCC(=O)N1c2cnc(N)nc2C2(CCCCC2)C1(C)C
InChIInChI=1S/C15H22N4O/c1-10(20)19-11-9-17-13(16)18-12(11)15(14(19,2)3)7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyBJLACOOJOHVSPF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.41
Rot. Bonds

About 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone

1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone (PubChem CID 171348818) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone.

Molecular Properties

Compound Name1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone
PubChem CID171348818
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone
SMILESCC(=O)N1c2cnc(N)nc2C2(CCCCC2)C1(C)C
InChIInChI=1S/C15H22N4O/c1-10(20)19-11-9-17-13(16)18-12(11)15(14(19,2)3)7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H2,16,17,18)
InChIKeyBJLACOOJOHVSPF-UHFFFAOYSA-N
XLogP2.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5'-acetyl-4,4-difluoro-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171344021
[1-(trifluoromethyl)cyclopropyl]methyl N-(5'-acetyl-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171346093
[(2R)-3,3-dimethylbutan-2-yl] N-(5'-acetyl-4,4-difluoro-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171348353
2-methylpropyl N-(5'-acetyl-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171349352
[1-(trifluoromethyl)cyclopropyl]methyl N-(5'-acetyl-4,4-difluoro-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171350838
2,2-dimethylpropyl N-(5'-acetyl-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171353581
2,2-dimethylpropyl N-(5'-acetyl-4,4-difluoro-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171355100
2,3-dimethylbutan-2-yl N-(5'-acetyl-4,4-difluoro-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171355446
1-(2'-Amino-4,4-difluoro-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone
CID 171357097
[(2S)-3,3-dimethylbutan-2-yl] N-(5'-acetyl-4,4-difluoro-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-2'-yl)carbamate
CID 171358709
2'-Chloro-4,4-difluoro-5'-methylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362955
1'-tert-butyl-2-(difluoromethyl)spiro[5H-pyrrolo[3,2-d]pyrimidine-7,4'-piperidine]-6-one
CID 176190569

Frequently Asked Questions

What is the IUPAC name of 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone?
The IUPAC name of 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone (CID 171348818) is 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone.
What is the SMILES notation for 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone?
The canonical SMILES for 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone is CC(=O)N1c2cnc(N)nc2C2(CCCCC2)C1(C)C.
What is the InChIKey of 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone?
The InChIKey is BJLACOOJOHVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(20)19-11-9-17-13(16)18-12(11)15(14(19,2)3)7-5-4-6-8-15/h9H,4-8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone?
1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2'-amino-6',6'-dimethylspiro[cyclohexane-1,7'-pyrrolo[3,2-d]pyrimidine]-5'-yl)ethanone is sourced from PubChem (CID 171348818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).