8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

C20H25N5O2 — CID 166626305

IUPAC8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cc1
InChIInChI=1S/C20H25N5O2/c1-14-13-22-19(23-15-3-5-16(27-2)6-4-15)24-17(14)25-11-8-20(9-12-25)7-10-21-18(20)26/h3-6,13H,7-12H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyCSAHAYJPZNQPCS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.64
Rot. Bonds4

About 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 166626305) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID166626305
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cc1
InChIInChI=1S/C20H25N5O2/c1-14-13-22-19(23-15-3-5-16(27-2)6-4-15)24-17(14)25-11-8-20(9-12-25)7-10-21-18(20)26/h3-6,13H,7-12H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyCSAHAYJPZNQPCS-UHFFFAOYSA-N
XLogP2.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 166626305) is 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is COc1ccc(Nc2ncc(C)c(N3CCC4(CCNC4=O)CC3)n2)cc1.
What is the InChIKey of 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is CSAHAYJPZNQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-13-22-19(23-15-3-5-16(27-2)6-4-15)24-17(14)25-11-8-20(9-12-25)7-10-21-18(20)26/h3-6,13H,7-12H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 367.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methoxyanilino)-5-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 166626305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).