(4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione

C11H18N2O4 — CID 132534504

IUPAC(4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCN1C(=O)N(C)[C@]2(O)[C@](C)(O)CC[C@]2(C)C1=O
InChIInChI=1S/C11H18N2O4/c1-9-5-6-10(2,16)11(9,17)13(4)8(15)12(3)7(9)14/h16-17H,5-6H2,1-4H3/t9-,10-,11-/m1/s1
InChIKeyAUVNCNSMELOVPB-GMTAPVOTSA-N
MW242.27 g/mol
LogP-0.25
Rot. Bonds

About (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione

(4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 132534504) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID132534504
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCN1C(=O)N(C)[C@]2(O)[C@](C)(O)CC[C@]2(C)C1=O
InChIInChI=1S/C11H18N2O4/c1-9-5-6-10(2,16)11(9,17)13(4)8(15)12(3)7(9)14/h16-17H,5-6H2,1-4H3/t9-,10-,11-/m1/s1
InChIKeyAUVNCNSMELOVPB-GMTAPVOTSA-N
XLogP-0.25
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1201402
3-hydroxy-1,5,5-trimethylimidazolidine-2,4-dione
CID 18314235
(5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione
CID 102238626
5,5-diethyl-1,3-dimethylimidazolidine-2,4-dione
CID 134305285
1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166054973
(4aS,7E,7aS)-4a-tert-butyl-7a-hydroxy-1,3-dimethyl-7-(trimethylsilylmethylidene)-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione
CID 102236035
6-hydroxy-1,3,5,5-tetramethyl-1,3-diazinane-2,4-dione
CID 135040297
3,6-bis(bromomethyl)-3,6-dihydroxy-1,4-dimethylpiperazine-2,5-dione
CID 89212340
3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 14948704
1,3,3-trimethylpiperidine-2,6-dione
CID 13462179
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377653

Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione (CID 132534504) is (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione is CN1C(=O)N(C)[C@]2(O)[C@](C)(O)CC[C@]2(C)C1=O.
What is the InChIKey of (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is AUVNCNSMELOVPB-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-9-5-6-10(2,16)11(9,17)13(4)8(15)12(3)7(9)14/h16-17H,5-6H2,1-4H3/t9-,10-,11-/m1/s1.
What are the key properties of (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione?
(4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 242.27 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 132534504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).