3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine

C23H27F2N7O2 — CID 122536066

IUPAC3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine
SMILESCC1(C)OCCn2c1nc1c(N3CCC(F)(F)C3)nc(-c3cnc(N)c(OCC4CC4)c3)nc12
InChIInChI=1S/C23H27F2N7O2/c1-22(2)21-28-16-19(31-6-5-23(24,25)12-31)29-18(30-20(16)32(21)7-8-34-22)14-9-15(17(26)27-10-14)33-11-13-3-4-13/h9-10,13H,3-8,11-12H2,1-2H3,(H2,26,27)
InChIKeySOAOYZOCIJFZCK-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.37
Rot. Bonds5

About 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine

3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine (PubChem CID 122536066) has the molecular formula C23H27F2N7O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine
PubChem CID122536066
Molecular FormulaC23H27F2N7O2
Molecular Weight471.51 g/mol
Exact Mass471.22
IUPAC Name3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine
SMILESCC1(C)OCCn2c1nc1c(N3CCC(F)(F)C3)nc(-c3cnc(N)c(OCC4CC4)c3)nc12
InChIInChI=1S/C23H27F2N7O2/c1-22(2)21-28-16-19(31-6-5-23(24,25)12-31)29-18(30-20(16)32(21)7-8-34-22)14-9-15(17(26)27-10-14)33-11-13-3-4-13/h9-10,13H,3-8,11-12H2,1-2H3,(H2,26,27)
InChIKeySOAOYZOCIJFZCK-UHFFFAOYSA-N
XLogP3.37
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine (CID 122536066) is 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine is CC1(C)OCCn2c1nc1c(N3CCC(F)(F)C3)nc(-c3cnc(N)c(OCC4CC4)c3)nc12.
What is the InChIKey of 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine?
The InChIKey is SOAOYZOCIJFZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O2/c1-22(2)21-28-16-19(31-6-5-23(24,25)12-31)29-18(30-20(16)32(21)7-8-34-22)14-9-15(17(26)27-10-14)33-11-13-3-4-13/h9-10,13H,3-8,11-12H2,1-2H3,(H2,26,27).
What are the key properties of 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine?
3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine has a molecular weight of 471.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 122536066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).