8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C28H38N6O3 — CID 130201436

IUPAC8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2
InChIInChI=1S/C28H38N6O3/c1-32(19-22-7-14-37-20-22)28(23-5-3-2-4-6-23)10-8-27(9-11-28)21-34(26(35)31-27)24-17-29-25(30-18-24)33-12-15-36-16-13-33/h2-6,17-18,22H,7-16,19-21H2,1H3,(H,31,35)
InChIKeyYNOHVEDAEWQUFO-UHFFFAOYSA-N
MW506.65 g/mol
LogP3.02
Rot. Bonds6

About 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201436) has the molecular formula C28H38N6O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201436
Molecular FormulaC28H38N6O3
Molecular Weight506.65 g/mol
Exact Mass506.30
IUPAC Name8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2
InChIInChI=1S/C28H38N6O3/c1-32(19-22-7-14-37-20-22)28(23-5-3-2-4-6-23)10-8-27(9-11-28)21-34(26(35)31-27)24-17-29-25(30-18-24)33-12-15-36-16-13-33/h2-6,17-18,22H,7-16,19-21H2,1H3,(H,31,35)
InChIKeyYNOHVEDAEWQUFO-UHFFFAOYSA-N
XLogP3.02
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201436) is 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.
What is the InChIKey of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is YNOHVEDAEWQUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O3/c1-32(19-22-7-14-37-20-22)28(23-5-3-2-4-6-23)10-8-27(9-11-28)21-34(26(35)31-27)24-17-29-25(30-18-24)33-12-15-36-16-13-33/h2-6,17-18,22H,7-16,19-21H2,1H3,(H,31,35).
What are the key properties of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 506.65 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).