N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide

C11H12N6O2 — CID 85272784

IUPACN'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc2ncc(C=O)nc2c(=O)n1C
InChIInChI=1S/C11H12N6O2/c1-16(2)6-13-11-15-9-8(10(19)17(11)3)14-7(5-18)4-12-9/h4-6H,1-3H3
InChIKeyONRKQZNVSHMQSR-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.24
Rot. Bonds3

About N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide

N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 85272784) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID85272784
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC NameN'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc2ncc(C=O)nc2c(=O)n1C
InChIInChI=1S/C11H12N6O2/c1-16(2)6-13-11-15-9-8(10(19)17(11)3)14-7(5-18)4-12-9/h4-6H,1-3H3
InChIKeyONRKQZNVSHMQSR-UHFFFAOYSA-N
XLogP-0.24
TPSA93.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide (CID 85272784) is N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc2ncc(C=O)nc2c(=O)n1C.
What is the InChIKey of N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is ONRKQZNVSHMQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-16(2)6-13-11-15-9-8(10(19)17(11)3)14-7(5-18)4-12-9/h4-6H,1-3H3.
What are the key properties of N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide?
N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 260.26 g/mol, XLogP of -0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-formyl-3-methyl-4-oxopteridin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 85272784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).