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

C14H13N5O2 — CID 21054791

IUPAC4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2c(Oc3cc(N)ncn3)cccc21
InChIInChI=1S/C14H13N5O2/c1-16-14(20)19-6-5-9-10(19)3-2-4-11(9)21-13-7-12(15)17-8-18-13/h2-8H,1H3,(H,16,20)(H2,15,17,18)
InChIKeyUUTSUXBISWBVGZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.99
Rot. Bonds2

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

4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide (PubChem CID 21054791) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
PubChem CID21054791
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2c(Oc3cc(N)ncn3)cccc21
InChIInChI=1S/C14H13N5O2/c1-16-14(20)19-6-5-9-10(19)3-2-4-11(9)21-13-7-12(15)17-8-18-13/h2-8H,1H3,(H,16,20)(H2,15,17,18)
InChIKeyUUTSUXBISWBVGZ-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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Related Compounds

5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
CID 21054849
carbamoyl 4-[6-(ethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
CID 90795443
carbamoyl 4-[6-(diethylcarbamoylamino)pyrimidin-4-yl]oxyindole-1-carboxylate
CID 90741762
6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80880691
6-(2-chlorophenoxy)pyrimidin-4-amine
CID 80863719
6-(2-bromophenoxy)pyrimidin-4-amine
CID 80860684
[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid
CID 69316750
5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide
CID 86730325
6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80860267
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-fluoro-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394029
6-(3-chlorophenoxy)pyrimidin-4-amine
CID 80869440
4-fluoro-5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394283

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide?
The IUPAC name of 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide (CID 21054791) is 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide.
What is the SMILES notation for 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide?
The canonical SMILES for 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide is CNC(=O)n1ccc2c(Oc3cc(N)ncn3)cccc21.
What is the InChIKey of 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide?
The InChIKey is UUTSUXBISWBVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-16-14(20)19-6-5-9-10(19)3-2-4-11(9)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 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide?
4-(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 4-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide is sourced from PubChem (CID 21054791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).