3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H22N4O3 — CID 97282074

IUPAC3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(C)c2c(n1)O[C@H](CN1CC3(CCNCC3)OC1=O)C2
InChIInChI=1S/C16H22N4O3/c1-10-13-7-12(22-14(13)19-11(2)18-10)8-20-9-16(23-15(20)21)3-5-17-6-4-16/h12,17H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyJIDGLVZBWHTSID-LBPRGKRZSA-N
MW318.38 g/mol
LogP0.97
Rot. Bonds2

About 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 97282074) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID97282074
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(C)c2c(n1)O[C@H](CN1CC3(CCNCC3)OC1=O)C2
InChIInChI=1S/C16H22N4O3/c1-10-13-7-12(22-14(13)19-11(2)18-10)8-20-9-16(23-15(20)21)3-5-17-6-4-16/h12,17H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyJIDGLVZBWHTSID-LBPRGKRZSA-N
XLogP0.97
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 97282074) is 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1nc(C)c2c(n1)O[C@H](CN1CC3(CCNCC3)OC1=O)C2.
What is the InChIKey of 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JIDGLVZBWHTSID-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-13-7-12(22-14(13)19-11(2)18-10)8-20-9-16(23-15(20)21)3-5-17-6-4-16/h12,17H,3-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 318.38 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97282074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).