methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate

C15H13N5O4 — CID 69317005

IUPACmethyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate
SMILESCOC(=O)n1cc(C(N)=O)c2c(Oc3cc(N)ncn3)cccc21
InChIInChI=1S/C15H13N5O4/c1-23-15(22)20-6-8(14(17)21)13-9(20)3-2-4-10(13)24-12-5-11(16)18-7-19-12/h2-7H,1H3,(H2,17,21)(H2,16,18,19)
InChIKeyLOOXWJVIBRSSDX-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.52
Rot. Bonds3

About methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate

methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate (PubChem CID 69317005) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate
PubChem CID69317005
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Namemethyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate
SMILESCOC(=O)n1cc(C(N)=O)c2c(Oc3cc(N)ncn3)cccc21
InChIInChI=1S/C15H13N5O4/c1-23-15(22)20-6-8(14(17)21)13-9(20)3-2-4-10(13)24-12-5-11(16)18-7-19-12/h2-7H,1H3,(H2,17,21)(H2,16,18,19)
InChIKeyLOOXWJVIBRSSDX-UHFFFAOYSA-N
XLogP1.52
TPSA135.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate 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 methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate?
The IUPAC name of methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate (CID 69317005) is methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate.
What is the SMILES notation for methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate?
The canonical SMILES for methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate is COC(=O)n1cc(C(N)=O)c2c(Oc3cc(N)ncn3)cccc21.
What is the InChIKey of methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate?
The InChIKey is LOOXWJVIBRSSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c1-23-15(22)20-6-8(14(17)21)13-9(20)3-2-4-10(13)24-12-5-11(16)18-7-19-12/h2-7H,1H3,(H2,17,21)(H2,16,18,19).
What are the key properties of methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate?
methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate has a molecular weight of 327.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-aminopyrimidin-4-yl)oxy-3-carbamoylindole-1-carboxylate is sourced from PubChem (CID 69317005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).