7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C20H23N5O — CID 54377547

IUPAC7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C1CCCC2(C1)NCCO2
InChIInChI=1S/C20H23N5O/c21-18-17-16(14-5-2-1-3-6-14)12-25(19(17)23-13-22-18)15-7-4-8-20(11-15)24-9-10-26-20/h1-3,5-6,12-13,15,24H,4,7-11H2,(H2,21,22,23)
InChIKeyUXPPXZGBUIZWQC-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.11
Rot. Bonds2

About 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 54377547) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID54377547
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C1CCCC2(C1)NCCO2
InChIInChI=1S/C20H23N5O/c21-18-17-16(14-5-2-1-3-6-14)12-25(19(17)23-13-22-18)15-7-4-8-20(11-15)24-9-10-26-20/h1-3,5-6,12-13,15,24H,4,7-11H2,(H2,21,22,23)
InChIKeyUXPPXZGBUIZWQC-UHFFFAOYSA-N
XLogP3.11
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 54420151
7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;ethane;1-methylpiperazine
CID 156857412
[1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanol
CID 22736412
5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 162364990
8-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 22736177
7-cyclobutyl-5-(4-methyl-2-phenyl-3,8a-dihydroquinazolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 130349063
5-(4-amino-3-methoxyphenyl)-7-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 22736421
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-4-phenylbenzenesulfinamide
CID 58089341
7-[1-(1-methylpiperidin-3-yl)piperidin-4-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857198
ethyl 3-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)piperidine-2-carboxylate;dihydrochloride
CID 70277982
tert-butyl formate;5-(4-phenoxyphenyl)-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 174760975

Frequently Asked Questions

What is the IUPAC name of 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 54377547) is 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccccc1)cn2C1CCCC2(C1)NCCO2.
What is the InChIKey of 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UXPPXZGBUIZWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c21-18-17-16(14-5-2-1-3-6-14)12-25(19(17)23-13-22-18)15-7-4-8-20(11-15)24-9-10-26-20/h1-3,5-6,12-13,15,24H,4,7-11H2,(H2,21,22,23).
What are the key properties of 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54377547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).