4-(dimethylamino)-1,8-dihydropteridine-2,7-dione

C8H9N5O2 — CID 1229676

IUPAC4-(dimethylamino)-1,8-dihydropteridine-2,7-dione
SMILESCN(C)c1nc(=O)[nH]c2[nH]c(=O)cnc12
InChIInChI=1S/C8H9N5O2/c1-13(2)7-5-6(11-8(15)12-7)10-4(14)3-9-5/h3H,1-2H3,(H2,10,11,12,14,15)
InChIKeyNJGQPFQTQXMHBX-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.93
Rot. Bonds1

About 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione

4-(dimethylamino)-1,8-dihydropteridine-2,7-dione (PubChem CID 1229676) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione.

Molecular Properties

Compound Name4-(dimethylamino)-1,8-dihydropteridine-2,7-dione
PubChem CID1229676
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name4-(dimethylamino)-1,8-dihydropteridine-2,7-dione
SMILESCN(C)c1nc(=O)[nH]c2[nH]c(=O)cnc12
InChIInChI=1S/C8H9N5O2/c1-13(2)7-5-6(11-8(15)12-7)10-4(14)3-9-5/h3H,1-2H3,(H2,10,11,12,14,15)
InChIKeyNJGQPFQTQXMHBX-UHFFFAOYSA-N
XLogP-0.93
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione?
The IUPAC name of 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione (CID 1229676) is 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione.
What is the SMILES notation for 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione?
The canonical SMILES for 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione is CN(C)c1nc(=O)[nH]c2[nH]c(=O)cnc12.
What is the InChIKey of 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione?
The InChIKey is NJGQPFQTQXMHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-13(2)7-5-6(11-8(15)12-7)10-4(14)3-9-5/h3H,1-2H3,(H2,10,11,12,14,15).
What are the key properties of 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione?
4-(dimethylamino)-1,8-dihydropteridine-2,7-dione has a molecular weight of 207.19 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,8-dihydropteridine-2,7-dione is sourced from PubChem (CID 1229676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).