6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione

C8H9N5O2 — CID 135475051

IUPAC6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione
SMILESCNc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C8H9N5O2/c1-3-6(14)11-5-4(10-3)7(15)13-8(9-2)12-5/h1-2H3,(H3,9,11,12,13,14,15)
InChIKeySQUBCKZHFMXHPO-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.64
Rot. Bonds1

About 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione

6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione (PubChem CID 135475051) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione.

Molecular Properties

Compound Name6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione
PubChem CID135475051
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione
SMILESCNc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C8H9N5O2/c1-3-6(14)11-5-4(10-3)7(15)13-8(9-2)12-5/h1-2H3,(H3,9,11,12,13,14,15)
InChIKeySQUBCKZHFMXHPO-UHFFFAOYSA-N
XLogP-0.64
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione?
The IUPAC name of 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione (CID 135475051) is 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione.
What is the SMILES notation for 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione?
The canonical SMILES for 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione is CNc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione?
The InChIKey is SQUBCKZHFMXHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-3-6(14)11-5-4(10-3)7(15)13-8(9-2)12-5/h1-2H3,(H3,9,11,12,13,14,15).
What are the key properties of 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione?
6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione has a molecular weight of 207.19 g/mol, XLogP of -0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)-3,8-dihydropteridine-4,7-dione is sourced from PubChem (CID 135475051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).