7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione

C14H21N5O2 — CID 82466277

IUPAC7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
SMILESCCCn1c(=O)n(CC2CCCN2)c(=O)c2c1ncn2C
InChIInChI=1S/C14H21N5O2/c1-3-7-18-12-11(17(2)9-16-12)13(20)19(14(18)21)8-10-5-4-6-15-10/h9-10,15H,3-8H2,1-2H3
InChIKeyNVKYQZKMHZDBHQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.06
Rot. Bonds4

About 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione

7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione (PubChem CID 82466277) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
PubChem CID82466277
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
SMILESCCCn1c(=O)n(CC2CCCN2)c(=O)c2c1ncn2C
InChIInChI=1S/C14H21N5O2/c1-3-7-18-12-11(17(2)9-16-12)13(20)19(14(18)21)8-10-5-4-6-15-10/h9-10,15H,3-8H2,1-2H3
InChIKeyNVKYQZKMHZDBHQ-UHFFFAOYSA-N
XLogP0.06
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-butan-2-yl-7-methyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466380
7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466474
1,3-bis(5-chloropentyl)-7-methylpurine-2,6-dione
CID 14416834
3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82465645
1-[[3,5-dimethyl-2-(2-piperidin-2-ylethoxy)phenyl]methyl]-3,7-dimethylpurine-2,6-dione
CID 171108970
3-ethyl-7-methyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466211
1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione
CID 117263187
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529913
3,7-dimethyl-1-[9-(tetradecylamino)nonyl]purine-2,6-dione
CID 18004844
1-(2-fluoroethyl)-3,7-dimethylpurine-2,6-dione
CID 141171430
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550051
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The IUPAC name of 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione (CID 82466277) is 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The canonical SMILES for 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione is CCCn1c(=O)n(CC2CCCN2)c(=O)c2c1ncn2C.
What is the InChIKey of 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
The InChIKey is NVKYQZKMHZDBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-7-18-12-11(17(2)9-16-12)13(20)19(14(18)21)8-10-5-4-6-15-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione?
7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 82466277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).