(5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C13H19N5O2 — CID 95876803

IUPAC(5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cnc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)nc1N
InChIInChI=1S/C13H19N5O2/c1-9-6-15-11(16-10(9)14)18-5-3-4-13(8-18)7-17(2)12(19)20-13/h6H,3-5,7-8H2,1-2H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyQCGPIGFXZGNVEN-CYBMUJFWSA-N
MW277.33 g/mol
LogP0.79
Rot. Bonds1

About (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95876803) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95876803
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1cnc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)nc1N
InChIInChI=1S/C13H19N5O2/c1-9-6-15-11(16-10(9)14)18-5-3-4-13(8-18)7-17(2)12(19)20-13/h6H,3-5,7-8H2,1-2H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyQCGPIGFXZGNVEN-CYBMUJFWSA-N
XLogP0.79
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2-Methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50977371
7-[6-(Isopropylamino)-4-pyrimidinyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56883748
3-Methyl-7-[6-(1-piperidinyl)-4-pyrimidinyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895829
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
3-(2-Ethylbutyl)-8-{[2-(methylamino)pyrimidin-5-yl]carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70728322
3-Methyl-7-[4-(methylamino)-2-pyrimidinyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56906192
8-{[2-(Methoxymethyl)pyrimidin-5-YL]methyl}-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70766438
3-[(2S)-pentan-2-yl]-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95875056
tert-Butyl 8-(5-(trifluoromethyl)pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66700940
Tert-butyl 3-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 153525859
Tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
tert-butyl (4R)-4-[[(4-amino-5-methanimidoylpyrimidin-2-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate
CID 162705738

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95876803) is (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1cnc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)nc1N.
What is the InChIKey of (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is QCGPIGFXZGNVEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-6-15-11(16-10(9)14)18-5-3-4-13(8-18)7-17(2)12(19)20-13/h6H,3-5,7-8H2,1-2H3,(H2,14,15,16)/t13-/m1/s1.
What are the key properties of (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 277.33 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95876803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).