2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine

C20H23F2N5O3 — CID 175036468

IUPAC2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine
SMILESCCCc1nc2c(N)nc(Oc3ccc(OC)c(F)c3F)nc2n1C1CCCCO1
InChIInChI=1S/C20H23F2N5O3/c1-3-6-13-24-17-18(23)25-20(26-19(17)27(13)14-7-4-5-10-29-14)30-12-9-8-11(28-2)15(21)16(12)22/h8-9,14H,3-7,10H2,1-2H3,(H2,23,25,26)
InChIKeyHEVUXPJUQOZRNF-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.14
Rot. Bonds6

About 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine

2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine (PubChem CID 175036468) has the molecular formula C20H23F2N5O3 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine
PubChem CID175036468
Molecular FormulaC20H23F2N5O3
Molecular Weight419.43 g/mol
Exact Mass419.18
IUPAC Name2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine
SMILESCCCc1nc2c(N)nc(Oc3ccc(OC)c(F)c3F)nc2n1C1CCCCO1
InChIInChI=1S/C20H23F2N5O3/c1-3-6-13-24-17-18(23)25-20(26-19(17)27(13)14-7-4-5-10-29-14)30-12-9-8-11(28-2)15(21)16(12)22/h8-9,14H,3-7,10H2,1-2H3,(H2,23,25,26)
InChIKeyHEVUXPJUQOZRNF-UHFFFAOYSA-N
XLogP4.14
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-bromo-2-butoxy-9-(oxan-2-yl)purin-6-amine
CID 23158548
2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-N-[1-(oxan-4-yl)ethyl]purin-6-amine
CID 175342020
2-butoxy-8-methoxy-9-(oxan-2-yl)purine
CID 141220651
8-(3-methylbutoxy)-9-[(2R)-oxan-2-yl]purin-6-amine
CID 69089530
5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455640
2-methoxy-6-methyl-9-(oxan-2-yl)purine
CID 133059804
1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 158926805
2-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-6-[1-(oxan-2-yl)indazol-6-yl]-1,3,5-triazine-2,4-diamine
CID 166164028
8-(methoxymethyl)-9-(oxan-2-yl)-6-phenylmethoxypurine
CID 153402974
8-(3-bromo-4-methoxyphenyl)-2-chloro-9-(oxan-2-yl)purine
CID 89287944
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105339773
5-[[[2-fluoro-9-(oxepan-2-yl)purin-6-yl]amino]methyl]-2-methoxyphenol
CID 162440956

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine?
The IUPAC name of 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine (CID 175036468) is 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine.
What is the SMILES notation for 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine?
The canonical SMILES for 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine is CCCc1nc2c(N)nc(Oc3ccc(OC)c(F)c3F)nc2n1C1CCCCO1.
What is the InChIKey of 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine?
The InChIKey is HEVUXPJUQOZRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O3/c1-3-6-13-24-17-18(23)25-20(26-19(17)27(13)14-7-4-5-10-29-14)30-12-9-8-11(28-2)15(21)16(12)22/h8-9,14H,3-7,10H2,1-2H3,(H2,23,25,26).
What are the key properties of 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine?
2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine has a molecular weight of 419.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methoxyphenoxy)-9-(oxan-2-yl)-8-propylpurin-6-amine is sourced from PubChem (CID 175036468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).