5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide

C14H13N5O2 — CID 21054849

IUPAC5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3cc(N)ncn3)ccc21
InChIInChI=1S/C14H13N5O2/c1-16-14(20)19-5-4-9-6-10(2-3-11(9)19)21-13-7-12(15)17-8-18-13/h2-8H,1H3,(H,16,20)(H2,15,17,18)
InChIKeyPBIIDWPXIJEMJI-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.99
Rot. Bonds2

About 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide

5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide (PubChem CID 21054849) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
PubChem CID21054849
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3cc(N)ncn3)ccc21
InChIInChI=1S/C14H13N5O2/c1-16-14(20)19-5-4-9-6-10(2-3-11(9)19)21-13-7-12(15)17-8-18-13/h2-8H,1H3,(H,16,20)(H2,15,17,18)
InChIKeyPBIIDWPXIJEMJI-UHFFFAOYSA-N
XLogP1.99
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide?
The IUPAC name of 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide (CID 21054849) is 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide?
The canonical SMILES for 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3cc(N)ncn3)ccc21.
What is the InChIKey of 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide?
The InChIKey is PBIIDWPXIJEMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-16-14(20)19-5-4-9-6-10(2-3-11(9)19)21-13-7-12(15)17-8-18-13/h2-8H,1H3,(H,16,20)(H2,15,17,18).
What are the key properties of 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide?
5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide is sourced from PubChem (CID 21054849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).