8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine

C18H17FN8O — CID 142780238

IUPAC8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine
SMILESCCn1c(-c2ccnc(N)n2)nc2c(-c3ccc(F)c(OC)c3)nc(N)nc21
InChIInChI=1S/C18H17FN8O/c1-3-27-15(11-6-7-22-17(20)23-11)24-14-13(25-18(21)26-16(14)27)9-4-5-10(19)12(8-9)28-2/h4-8H,3H2,1-2H3,(H2,20,22,23)(H2,21,25,26)
InChIKeyMJVJSLMSOQMECT-UHFFFAOYSA-N
MW380.39 g/mol
LogP2.28
Rot. Bonds4

About 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine

8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine (PubChem CID 142780238) has the molecular formula C18H17FN8O and a molecular weight of 380.39 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine.

Molecular Properties

Compound Name8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine
PubChem CID142780238
Molecular FormulaC18H17FN8O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine
SMILESCCn1c(-c2ccnc(N)n2)nc2c(-c3ccc(F)c(OC)c3)nc(N)nc21
InChIInChI=1S/C18H17FN8O/c1-3-27-15(11-6-7-22-17(20)23-11)24-14-13(25-18(21)26-16(14)27)9-4-5-10(19)12(8-9)28-2/h4-8H,3H2,1-2H3,(H2,20,22,23)(H2,21,25,26)
InChIKeyMJVJSLMSOQMECT-UHFFFAOYSA-N
XLogP2.28
TPSA130.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine?
The IUPAC name of 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine (CID 142780238) is 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine.
What is the SMILES notation for 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine?
The canonical SMILES for 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine is CCn1c(-c2ccnc(N)n2)nc2c(-c3ccc(F)c(OC)c3)nc(N)nc21.
What is the InChIKey of 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine?
The InChIKey is MJVJSLMSOQMECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN8O/c1-3-27-15(11-6-7-22-17(20)23-11)24-14-13(25-18(21)26-16(14)27)9-4-5-10(19)12(8-9)28-2/h4-8H,3H2,1-2H3,(H2,20,22,23)(H2,21,25,26).
What are the key properties of 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine?
8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine has a molecular weight of 380.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-4-yl)-9-ethyl-6-(4-fluoro-3-methoxyphenyl)purin-2-amine is sourced from PubChem (CID 142780238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).