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

C19H23N5O — CID 162351817

IUPAC8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2ccccc2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C19H23N5O/c1-14-13-21-18(22-15-5-3-2-4-6-15)23-16(14)24-11-8-19(9-12-24)7-10-20-17(19)25/h2-6,13H,7-12H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyAKLIRLGAYMDUJW-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.64
Rot. Bonds3

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

8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162351817) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162351817
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2ccccc2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C19H23N5O/c1-14-13-21-18(22-15-5-3-2-4-6-15)23-16(14)24-11-8-19(9-12-24)7-10-20-17(19)25/h2-6,13H,7-12H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyAKLIRLGAYMDUJW-UHFFFAOYSA-N
XLogP2.64
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 162351817) is 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(Nc2ccccc2)nc1N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is AKLIRLGAYMDUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-13-21-18(22-15-5-3-2-4-6-15)23-16(14)24-11-8-19(9-12-24)7-10-20-17(19)25/h2-6,13H,7-12H2,1H3,(H,20,25)(H,21,22,23).
What are the key properties of 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 337.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-anilino-5-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162351817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).