2-(dimethylamino)-4-methoxy-8H-pteridin-7-one

C9H11N5O2 — CID 14055944

IUPAC2-(dimethylamino)-4-methoxy-8H-pteridin-7-one
SMILESCOc1nc(N(C)C)nc2[nH]c(=O)cnc12
InChIInChI=1S/C9H11N5O2/c1-14(2)9-12-7-6(8(13-9)16-3)10-4-5(15)11-7/h4H,1-3H3,(H,11,12,13,15)
InChIKeyDSVAKXOEDZWJPR-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.21
Rot. Bonds2

About 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one

2-(dimethylamino)-4-methoxy-8H-pteridin-7-one (PubChem CID 14055944) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-methoxy-8H-pteridin-7-one
PubChem CID14055944
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-(dimethylamino)-4-methoxy-8H-pteridin-7-one
SMILESCOc1nc(N(C)C)nc2[nH]c(=O)cnc12
InChIInChI=1S/C9H11N5O2/c1-14(2)9-12-7-6(8(13-9)16-3)10-4-5(15)11-7/h4H,1-3H3,(H,11,12,13,15)
InChIKeyDSVAKXOEDZWJPR-UHFFFAOYSA-N
XLogP-0.21
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one (CID 14055944) is 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one is COc1nc(N(C)C)nc2[nH]c(=O)cnc12.
What is the InChIKey of 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one?
The InChIKey is DSVAKXOEDZWJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-14(2)9-12-7-6(8(13-9)16-3)10-4-5(15)11-7/h4H,1-3H3,(H,11,12,13,15).
What are the key properties of 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one?
2-(dimethylamino)-4-methoxy-8H-pteridin-7-one has a molecular weight of 221.22 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methoxy-8H-pteridin-7-one is sourced from PubChem (CID 14055944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).