[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate

C14H20N2O6 — CID 44582049

IUPAC[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCc1cn([C@H]2CO[C@@H](COC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O6/c1-8-5-16(13(19)15-11(8)17)9-6-20-10(22-9)7-21-12(18)14(2,3)4/h5,9-10H,6-7H2,1-4H3,(H,15,17,19)/t9-,10-/m1/s1
InChIKeyUYYPRHFEKPVQJT-NXEZZACHSA-N
MW312.32 g/mol
LogP0.31
Rot. Bonds3

About [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 44582049) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID44582049
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCc1cn([C@H]2CO[C@@H](COC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20N2O6/c1-8-5-16(13(19)15-11(8)17)9-6-20-10(22-9)7-21-12(18)14(2,3)4/h5,9-10H,6-7H2,1-4H3,(H,15,17,19)/t9-,10-/m1/s1
InChIKeyUYYPRHFEKPVQJT-NXEZZACHSA-N
XLogP0.31
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate with MolForge

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Related Compounds

1-(2,2-Diethoxyethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 712442
1H-Pyrimidine-2,4-dione, 1-(2,2-dimethoxyethyl)-5-methyl-
CID 712760
1H-Pyrimidine-2,4-dione, 1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-5-methyl-
CID 3239598
Dioxolane-THYMINE
CID 451593
Dioxolane thymidine
CID 9813340
1-(1,3-Dioxolan-4-yl)-5-methylpyrimidine-2,4-dione
CID 17809538
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (2S)-2-aminopropanoate;hydrochloride
CID 44581779
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
CID 44581837
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (2R)-2-amino-3-methylbutanoate;hydrochloride
CID 44581839
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl pentanoate
CID 44582045
(+)-L-beta-DioxalaneT
CID 454198
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl acetate
CID 11265695

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 44582049) is [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate is Cc1cn([C@H]2CO[C@@H](COC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is UYYPRHFEKPVQJT-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-8-5-16(13(19)15-11(8)17)9-6-20-10(22-9)7-21-12(18)14(2,3)4/h5,9-10H,6-7H2,1-4H3,(H,15,17,19)/t9-,10-/m1/s1.
What are the key properties of [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 312.32 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 44582049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).