2-imino-7-methoxy-1,3-dimethylpteridin-4-one

C9H11N5O2 — CID 11009520

IUPAC2-imino-7-methoxy-1,3-dimethylpteridin-4-one
SMILES[H]/N=c1\n(C)c(=O)c2ncc(OC)nc2n1C
InChIInChI=1S/C9H11N5O2/c1-13-7-6(8(15)14(2)9(13)10)11-4-5(12-7)16-3/h4,10H,1-3H3/b10-9-
InChIKeyZGHBXSRYRMJDRC-KTKRTIGZSA-N
MW221.22 g/mol
LogP-0.84
Rot. Bonds1

About 2-imino-7-methoxy-1,3-dimethylpteridin-4-one

2-imino-7-methoxy-1,3-dimethylpteridin-4-one (PubChem CID 11009520) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-imino-7-methoxy-1,3-dimethylpteridin-4-one.

Molecular Properties

Compound Name2-imino-7-methoxy-1,3-dimethylpteridin-4-one
PubChem CID11009520
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-imino-7-methoxy-1,3-dimethylpteridin-4-one
SMILES[H]/N=c1\n(C)c(=O)c2ncc(OC)nc2n1C
InChIInChI=1S/C9H11N5O2/c1-13-7-6(8(15)14(2)9(13)10)11-4-5(12-7)16-3/h4,10H,1-3H3/b10-9-
InChIKeyZGHBXSRYRMJDRC-KTKRTIGZSA-N
XLogP-0.84
TPSA85.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-imino-7-methoxy-1,3-dimethylpteridin-4-one?
The IUPAC name of 2-imino-7-methoxy-1,3-dimethylpteridin-4-one (CID 11009520) is 2-imino-7-methoxy-1,3-dimethylpteridin-4-one.
What is the SMILES notation for 2-imino-7-methoxy-1,3-dimethylpteridin-4-one?
The canonical SMILES for 2-imino-7-methoxy-1,3-dimethylpteridin-4-one is [H]/N=c1\n(C)c(=O)c2ncc(OC)nc2n1C.
What is the InChIKey of 2-imino-7-methoxy-1,3-dimethylpteridin-4-one?
The InChIKey is ZGHBXSRYRMJDRC-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-13-7-6(8(15)14(2)9(13)10)11-4-5(12-7)16-3/h4,10H,1-3H3/b10-9-.
What are the key properties of 2-imino-7-methoxy-1,3-dimethylpteridin-4-one?
2-imino-7-methoxy-1,3-dimethylpteridin-4-one has a molecular weight of 221.22 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-7-methoxy-1,3-dimethylpteridin-4-one is sourced from PubChem (CID 11009520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).