7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one

C8H13N5O — CID 163105540

IUPAC7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one
SMILESCNc1nc2c(c(=O)[nH]1)N(C)CN2C
InChIInChI=1S/C8H13N5O/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3/h4H2,1-3H3,(H2,9,10,11,14)
InChIKeyPNAKOPAZUOVNMB-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.34
Rot. Bonds1

About 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one

7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one (PubChem CID 163105540) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one.

Molecular Properties

Compound Name7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one
PubChem CID163105540
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one
SMILESCNc1nc2c(c(=O)[nH]1)N(C)CN2C
InChIInChI=1S/C8H13N5O/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3/h4H2,1-3H3,(H2,9,10,11,14)
InChIKeyPNAKOPAZUOVNMB-UHFFFAOYSA-N
XLogP-0.34
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Caffeine bromide
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3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrochloride
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Caffeine, monohydriodide
CID 28309
2-amino-7-methyl-8,9-dihydro-1H-purin-6-one
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N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)formamide
CID 333439
2-Amino-7,9-dimethyl-3,8-dihydropurin-6-one
CID 135687059
2,5,6-Triamino-3-methylpyrimidin-4(3H)-one
CID 425138
Purine, 1,6-dihydro-8-hydroxy-1-methyl-6-oxo-
CID 23422308

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one?
The IUPAC name of 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one (CID 163105540) is 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one.
What is the SMILES notation for 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one?
The canonical SMILES for 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one is CNc1nc2c(c(=O)[nH]1)N(C)CN2C.
What is the InChIKey of 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one?
The InChIKey is PNAKOPAZUOVNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3/h4H2,1-3H3,(H2,9,10,11,14).
What are the key properties of 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one?
7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one has a molecular weight of 195.23 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-2-(methylamino)-1,8-dihydropurin-6-one is sourced from PubChem (CID 163105540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).