1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione

C15H20N4O2 — CID 59057360

IUPAC1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione
SMILESCc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1C
InChIInChI=1S/C15H20N4O2/c1-9-16-13-12(17(9)2)14(20)19(8-11-5-6-11)15(21)18(13)7-10-3-4-10/h10-11H,3-8H2,1-2H3
InChIKeyIZUDSLQUHPVMFF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.03
Rot. Bonds4

About 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione

1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione (PubChem CID 59057360) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione
PubChem CID59057360
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione
SMILESCc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1C
InChIInChI=1S/C15H20N4O2/c1-9-16-13-12(17(9)2)14(20)19(8-11-5-6-11)15(21)18(13)7-10-3-4-10/h10-11H,3-8H2,1-2H3
InChIKeyIZUDSLQUHPVMFF-UHFFFAOYSA-N
XLogP1.03
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione
CID 10039809
8-chloro-1-(cyclopropylmethyl)-3,7-dimethylpurine-2,6-dione
CID 153298083
1-(cyclopropylmethyl)-3,7-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 153298197
3,7,8-trimethyl-1-[(5-oxooxan-2-yl)methyl]purine-2,6-dione
CID 145301426
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
N-[1,3-bis(cyclopropylmethyl)-7-methyl-2,6-dioxopurin-8-yl]-4-nitro-N-(4-nitrophenyl)sulfonylbenzenesulfonamide
CID 10394586
8-chloro-1,3-bis(cyclopropylmethyl)-7-[(3,4-dichlorophenyl)methyl]purine-2,6-dione
CID 10647347
1-(3-aminopropyl)-7,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466407
7-(cyclopropylmethyl)-3-methyl-1-[(4-oxocyclohexyl)methyl]purine-2,6-dione
CID 121279396
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466435
8-chloro-1-(cyclopropylmethyl)-3-methyl-7H-purine-2,6-dione
CID 166290964

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione?
The IUPAC name of 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione (CID 59057360) is 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione.
What is the SMILES notation for 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione?
The canonical SMILES for 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione is Cc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1C.
What is the InChIKey of 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione?
The InChIKey is IZUDSLQUHPVMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-16-13-12(17(9)2)14(20)19(8-11-5-6-11)15(21)18(13)7-10-3-4-10/h10-11H,3-8H2,1-2H3.
What are the key properties of 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione?
1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione has a molecular weight of 288.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(cyclopropylmethyl)-7,8-dimethylpurine-2,6-dione is sourced from PubChem (CID 59057360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).