2-(dimethylamino)-6-methoxy-3H-pteridin-4-one

C9H11N5O2 — CID 136814892

IUPAC2-(dimethylamino)-6-methoxy-3H-pteridin-4-one
SMILESCOc1cnc2nc(N(C)C)[nH]c(=O)c2n1
InChIInChI=1S/C9H11N5O2/c1-14(2)9-12-7-6(8(15)13-9)11-5(16-3)4-10-7/h4H,1-3H3,(H,10,12,13,15)
InChIKeyRTWVNOMLZDGKBI-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.21
Rot. Bonds2

About 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one

2-(dimethylamino)-6-methoxy-3H-pteridin-4-one (PubChem CID 136814892) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-methoxy-3H-pteridin-4-one
PubChem CID136814892
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-(dimethylamino)-6-methoxy-3H-pteridin-4-one
SMILESCOc1cnc2nc(N(C)C)[nH]c(=O)c2n1
InChIInChI=1S/C9H11N5O2/c1-14(2)9-12-7-6(8(15)13-9)11-5(16-3)4-10-7/h4H,1-3H3,(H,10,12,13,15)
InChIKeyRTWVNOMLZDGKBI-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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one?
The IUPAC name of 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one (CID 136814892) is 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one?
The canonical SMILES for 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one is COc1cnc2nc(N(C)C)[nH]c(=O)c2n1.
What is the InChIKey of 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one?
The InChIKey is RTWVNOMLZDGKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-14(2)9-12-7-6(8(15)13-9)11-5(16-3)4-10-7/h4H,1-3H3,(H,10,12,13,15).
What are the key properties of 2-(dimethylamino)-6-methoxy-3H-pteridin-4-one?
2-(dimethylamino)-6-methoxy-3H-pteridin-4-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)-6-methoxy-3H-pteridin-4-one is sourced from PubChem (CID 136814892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).