8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine

C17H14F2N8 — CID 58441951

IUPAC8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine
SMILESCCn1c(-c2ccnc(N)n2)nc2cnc(Nc3c(F)cccc3F)nc21
InChIInChI=1S/C17H14F2N8/c1-2-27-14(11-6-7-21-16(20)24-11)23-12-8-22-17(26-15(12)27)25-13-9(18)4-3-5-10(13)19/h3-8H,2H2,1H3,(H2,20,21,24)(H,22,25,26)
InChIKeyQSUJBCZKUIYDAI-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.91
Rot. Bonds4

About 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine

8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine (PubChem CID 58441951) has the molecular formula C17H14F2N8 and a molecular weight of 368.35 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine.

Molecular Properties

Compound Name8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine
PubChem CID58441951
Molecular FormulaC17H14F2N8
Molecular Weight368.35 g/mol
Exact Mass368.13
IUPAC Name8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine
SMILESCCn1c(-c2ccnc(N)n2)nc2cnc(Nc3c(F)cccc3F)nc21
InChIInChI=1S/C17H14F2N8/c1-2-27-14(11-6-7-21-16(20)24-11)23-12-8-22-17(26-15(12)27)25-13-9(18)4-3-5-10(13)19/h3-8H,2H2,1H3,(H2,20,21,24)(H,22,25,26)
InChIKeyQSUJBCZKUIYDAI-UHFFFAOYSA-N
XLogP2.91
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine?
The IUPAC name of 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine (CID 58441951) is 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine.
What is the SMILES notation for 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine?
The canonical SMILES for 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine is CCn1c(-c2ccnc(N)n2)nc2cnc(Nc3c(F)cccc3F)nc21.
What is the InChIKey of 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine?
The InChIKey is QSUJBCZKUIYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N8/c1-2-27-14(11-6-7-21-16(20)24-11)23-12-8-22-17(26-15(12)27)25-13-9(18)4-3-5-10(13)19/h3-8H,2H2,1H3,(H2,20,21,24)(H,22,25,26).
What are the key properties of 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine?
8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine has a molecular weight of 368.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-4-yl)-N-(2,6-difluorophenyl)-9-ethylpurin-2-amine is sourced from PubChem (CID 58441951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).