8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione

C10H15N5O2 — CID 853496

IUPAC8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H15N5O2/c1-13(2)5-6-11-7-8(12-6)14(3)10(17)15(4)9(7)16/h5H2,1-4H3,(H,11,12)
InChIKeyPNBKDXJNLKRCBL-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.98
Rot. Bonds2

About 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione

8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 853496) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID853496
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H15N5O2/c1-13(2)5-6-11-7-8(12-6)14(3)10(17)15(4)9(7)16/h5H2,1-4H3,(H,11,12)
InChIKeyPNBKDXJNLKRCBL-UHFFFAOYSA-N
XLogP-0.98
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione (CID 853496) is 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione is CN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is PNBKDXJNLKRCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-13(2)5-6-11-7-8(12-6)14(3)10(17)15(4)9(7)16/h5H2,1-4H3,(H,11,12).
What are the key properties of 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione?
8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 853496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).