N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline

C14H14N4O — CID 143388806

IUPACN-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline
SMILESCNc1ccc(Oc2ncnc3ccn(C)c23)cc1
InChIInChI=1S/C14H14N4O/c1-15-10-3-5-11(6-4-10)19-14-13-12(16-9-17-14)7-8-18(13)2/h3-9,15H,1-2H3
InChIKeyVUQJWSNICAWSJY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.80
Rot. Bonds3

About N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline

N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline (PubChem CID 143388806) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound NameN-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline
PubChem CID143388806
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline
SMILESCNc1ccc(Oc2ncnc3ccn(C)c23)cc1
InChIInChI=1S/C14H14N4O/c1-15-10-3-5-11(6-4-10)19-14-13-12(16-9-17-14)7-8-18(13)2/h3-9,15H,1-2H3
InChIKeyVUQJWSNICAWSJY-UHFFFAOYSA-N
XLogP2.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline 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 N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline?
The IUPAC name of N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline (CID 143388806) is N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline.
What is the SMILES notation for N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline?
The canonical SMILES for N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline is CNc1ccc(Oc2ncnc3ccn(C)c23)cc1.
What is the InChIKey of N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline?
The InChIKey is VUQJWSNICAWSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-15-10-3-5-11(6-4-10)19-14-13-12(16-9-17-14)7-8-18(13)2/h3-9,15H,1-2H3.
What are the key properties of N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline?
N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline has a molecular weight of 254.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 143388806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).