9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

C21H30N4O2 — CID 97135756

IUPAC9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C[C@H]1Cc3c(C)nc(C)nc3O1)CC2
InChIInChI=1S/C21H30N4O2/c1-4-9-25-14-21(6-5-19(25)26)7-10-24(11-8-21)13-17-12-18-15(2)22-16(3)23-20(18)27-17/h4,17H,1,5-14H2,2-3H3/t17-/m1/s1
InChIKeyOBUTUFXUZDKFAZ-QGZVFWFLSA-N
MW370.50 g/mol
LogP2.29
Rot. Bonds4

About 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97135756) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97135756
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C[C@H]1Cc3c(C)nc(C)nc3O1)CC2
InChIInChI=1S/C21H30N4O2/c1-4-9-25-14-21(6-5-19(25)26)7-10-24(11-8-21)13-17-12-18-15(2)22-16(3)23-20(18)27-17/h4,17H,1,5-14H2,2-3H3/t17-/m1/s1
InChIKeyOBUTUFXUZDKFAZ-QGZVFWFLSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione
CID 97277149
1-[1-[(2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl)methyl]-4-methoxypiperidin-4-yl]-N,N-dimethylmethanamine
CID 162637175
9-(3-methylsulfanylbutyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72939168
3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one
CID 97192347
9-butan-2-ylsulfonyl-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72890711
(6R)-6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 27376638
9-[3-(4-fluorophenoxy)propyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70771163
N-[(2R)-butan-2-yl]-3-oxo-2-prop-2-enyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97121210
2-ethyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70761215
9-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97125710
9-[(2-chloro-4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70753366
9-(5-acetylthiophene-3-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918054

Frequently Asked Questions

What is the IUPAC name of 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97135756) is 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCC1=O)CCN(C[C@H]1Cc3c(C)nc(C)nc3O1)CC2.
What is the InChIKey of 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OBUTUFXUZDKFAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-9-25-14-21(6-5-19(25)26)7-10-24(11-8-21)13-17-12-18-15(2)22-16(3)23-20(18)27-17/h4,17H,1,5-14H2,2-3H3/t17-/m1/s1.
What are the key properties of 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.50 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97135756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).