7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C17H22N6OS — CID 141251357

IUPAC7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCOc1nc(C)nc2sc(NC3=CC[C@@]4(CN5CCC4CC5)N3)nc12
InChIInChI=1S/C17H22N6OS/c1-10-18-14(24-2)13-15(19-10)25-16(21-13)20-12-3-6-17(22-12)9-23-7-4-11(17)5-8-23/h3,11,22H,4-9H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyZEICSHVETWRUDZ-KRWDZBQOSA-N
MW358.47 g/mol
LogP2.11
Rot. Bonds3

About 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 141251357) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID141251357
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCOc1nc(C)nc2sc(NC3=CC[C@@]4(CN5CCC4CC5)N3)nc12
InChIInChI=1S/C17H22N6OS/c1-10-18-14(24-2)13-15(19-10)25-16(21-13)20-12-3-6-17(22-12)9-23-7-4-11(17)5-8-23/h3,11,22H,4-9H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyZEICSHVETWRUDZ-KRWDZBQOSA-N
XLogP2.11
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 141251357) is 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is COc1nc(C)nc2sc(NC3=CC[C@@]4(CN5CCC4CC5)N3)nc12.
What is the InChIKey of 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is ZEICSHVETWRUDZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-10-18-14(24-2)13-15(19-10)25-16(21-13)20-12-3-6-17(22-12)9-23-7-4-11(17)5-8-23/h3,11,22H,4-9H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 358.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 141251357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).