(2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C15H23N5O4 — CID 34929117

IUPAC(2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O4/c1-17(2)13(22)9-6-5-7-20(9)8-10(21)11-12(16)18(3)15(24)19(4)14(11)23/h9H,5-8,16H2,1-4H3/t9-/m0/s1
InChIKeyRSFYLCRZQFKQNM-VIFPVBQESA-N
MW337.38 g/mol
LogP-1.60
Rot. Bonds4

About (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 34929117) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID34929117
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Name(2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O4/c1-17(2)13(22)9-6-5-7-20(9)8-10(21)11-12(16)18(3)15(24)19(4)14(11)23/h9H,5-8,16H2,1-4H3/t9-/m0/s1
InChIKeyRSFYLCRZQFKQNM-VIFPVBQESA-N
XLogP-1.60
TPSA110.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 34929117) is (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1CCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is RSFYLCRZQFKQNM-VIFPVBQESA-N. The full InChI is InChI=1S/C15H23N5O4/c1-17(2)13(22)9-6-5-7-20(9)8-10(21)11-12(16)18(3)15(24)19(4)14(11)23/h9H,5-8,16H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of -1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 34929117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).