(6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione

C21H25ClN2O6 — CID 508360

IUPAC(6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione
SMILESCO[C@@H]1C2OC(C)(C)OC2OC1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C(=O)N1C1CC1
InChIInChI=1S/C21H25ClN2O6/c1-21(2)29-18-17(27-3)16(28-19(18)30-21)14-10-15(25)24(13-6-4-11(22)5-7-13)20(26)23(14)12-8-9-12/h4-7,12,14,16-19H,8-10H2,1-3H3/t14-,16?,17-,18?,19?/m0/s1
InChIKeyYGLVRHSTCIEETP-QHPAWHGXSA-N
MW436.89 g/mol
LogP2.92
Rot. Bonds4

About (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione

(6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 508360) has the molecular formula C21H25ClN2O6 and a molecular weight of 436.89 g/mol. Its IUPAC name is (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione
PubChem CID508360
Molecular FormulaC21H25ClN2O6
Molecular Weight436.89 g/mol
Exact Mass436.14
IUPAC Name(6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione
SMILESCO[C@@H]1C2OC(C)(C)OC2OC1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C(=O)N1C1CC1
InChIInChI=1S/C21H25ClN2O6/c1-21(2)29-18-17(27-3)16(28-19(18)30-21)14-10-15(25)24(13-6-4-11(22)5-7-13)20(26)23(14)12-8-9-12/h4-7,12,14,16-19H,8-10H2,1-3H3/t14-,16?,17-,18?,19?/m0/s1
InChIKeyYGLVRHSTCIEETP-QHPAWHGXSA-N
XLogP2.92
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.89
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

(6S)-1-butyl-3-(4-fluorophenyl)-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]hexahydropyrimidine-2,4-dione
CID 508362
(6S)-3-(4-chlorophenyl)-1-dodecyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]hexahydropyrimidine-2,4-dione
CID 508364
(6S)-1-hexadecyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-phenyl-hexahydropyrimidine-2,4-dione
CID 508365
(6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]hexahydropyrimidine-2,4-dione
CID 508369
(6S)-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[(Z)-octadec-9-enyl]-3-phenyl-hexahydropyrimidine-2,4-dione
CID 6478714
6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-butyl-3-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinan-4-one
CID 76330075
ethyl (3S)-3-[(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4-chlorophenyl)carbamoylamino]propanoate
CID 508341
ethyl (3S)-3-[(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4-chlorophenyl)carbamoyl-cyclopropyl-amino]propanoate
CID 508342
ethyl (3S)-3-[(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4-chlorophenyl)carbamoyl-dodecyl-amino]propanoate
CID 508346
ethyl (3S)-3-[(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4-chlorophenyl)carbamoyl-hexadecyl-amino]propanoate
CID 508348
6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 76311991
(6S)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzyl-3-(3-chloro-4-methylphenyl)-1,3-diazinane-2,4-dione
CID 76312244

Frequently Asked Questions

What is the IUPAC name of (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione (CID 508360) is (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione is CO[C@@H]1C2OC(C)(C)OC2OC1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C(=O)N1C1CC1.
What is the InChIKey of (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is YGLVRHSTCIEETP-QHPAWHGXSA-N. The full InChI is InChI=1S/C21H25ClN2O6/c1-21(2)29-18-17(27-3)16(28-19(18)30-21)14-10-15(25)24(13-6-4-11(22)5-7-13)20(26)23(14)12-8-9-12/h4-7,12,14,16-19H,8-10H2,1-3H3/t14-,16?,17-,18?,19?/m0/s1.
What are the key properties of (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione?
(6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 436.89 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(4-chlorophenyl)-1-cyclopropyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 508360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).