6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine

C14H12FN5O2 — CID 90887398

IUPAC6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(N)c3CN=O)ccc2[nH]1
InChIInChI=1S/C14H12FN5O2/c1-7-4-8-10(20-7)2-3-11(12(8)15)22-14-9(5-19-21)13(16)17-6-18-14/h2-4,6,20H,5H2,1H3,(H2,16,17,18)
InChIKeyKFPJLOGNXJERBA-UHFFFAOYSA-N
MW301.28 g/mol
LogP3.05
Rot. Bonds4

About 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine (PubChem CID 90887398) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine
PubChem CID90887398
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(N)c3CN=O)ccc2[nH]1
InChIInChI=1S/C14H12FN5O2/c1-7-4-8-10(20-7)2-3-11(12(8)15)22-14-9(5-19-21)13(16)17-6-18-14/h2-4,6,20H,5H2,1H3,(H2,16,17,18)
InChIKeyKFPJLOGNXJERBA-UHFFFAOYSA-N
XLogP3.05
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine (CID 90887398) is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine is Cc1cc2c(F)c(Oc3ncnc(N)c3CN=O)ccc2[nH]1.
What is the InChIKey of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine?
The InChIKey is KFPJLOGNXJERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-7-4-8-10(20-7)2-3-11(12(8)15)22-14-9(5-19-21)13(16)17-6-18-14/h2-4,6,20H,5H2,1H3,(H2,16,17,18).
What are the key properties of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine?
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine has a molecular weight of 301.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-(nitrosomethyl)pyrimidin-4-amine is sourced from PubChem (CID 90887398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).