3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione

C19H23N7O2 — CID 135120631

IUPAC3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione
SMILESCc1ncc2c(n1)C1(CCCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)C1)CC2
InChIInChI=1S/C19H23N7O2/c1-11-20-9-12-5-7-19(14(12)21-11)6-4-8-26(10-19)17-22-15-13(24(17)2)16(27)23-18(28)25(15)3/h9H,4-8,10H2,1-3H3,(H,23,27,28)
InChIKeyJYQSBBSAGVJGCQ-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.54
Rot. Bonds1

About 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione

3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione (PubChem CID 135120631) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione
PubChem CID135120631
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione
SMILESCc1ncc2c(n1)C1(CCCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)C1)CC2
InChIInChI=1S/C19H23N7O2/c1-11-20-9-12-5-7-19(14(12)21-11)6-4-8-26(10-19)17-22-15-13(24(17)2)16(27)23-18(28)25(15)3/h9H,4-8,10H2,1-3H3,(H,23,27,28)
InChIKeyJYQSBBSAGVJGCQ-UHFFFAOYSA-N
XLogP0.54
TPSA101.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione with MolForge

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Related Compounds

1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135110515
2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile
CID 163314786
1-(3,7-dimethyl-2,6-dioxopurin-8-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 154865228
1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163315465
3-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135094831
7-benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 679995
7-[(4-fluorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 699814
2-ethylsulfanyl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135098088
2-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698243
8-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3,7-dimethylpurine-2,6-dione
CID 97193016
N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135106083
8-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3,7-dimethylpurine-2,6-dione
CID 97193015

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione?
The IUPAC name of 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione (CID 135120631) is 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione?
The canonical SMILES for 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione is Cc1ncc2c(n1)C1(CCCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)C1)CC2.
What is the InChIKey of 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione?
The InChIKey is JYQSBBSAGVJGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-11-20-9-12-5-7-19(14(12)21-11)6-4-8-26(10-19)17-22-15-13(24(17)2)16(27)23-18(28)25(15)3/h9H,4-8,10H2,1-3H3,(H,23,27,28).
What are the key properties of 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione?
3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione has a molecular weight of 381.44 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione is sourced from PubChem (CID 135120631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).