5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid

C10H15N3O4 — CID 160916514

IUPAC5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
SMILESCc1c[nH]c(=O)[nH]c1=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H6N2O2.C5H9NO2/c1-3-2-6-5(9)7-4(3)8;7-5(8)4-2-1-3-6-4/h2H,1H3,(H2,6,7,8,9);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeySRLXMWDZYYCQPX-VWMHFEHESA-N
MW241.25 g/mol
LogP-0.81
Rot. Bonds1

About 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid

5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 160916514) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID160916514
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
SMILESCc1c[nH]c(=O)[nH]c1=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H6N2O2.C5H9NO2/c1-3-2-6-5(9)7-4(3)8;7-5(8)4-2-1-3-6-4/h2H,1H3,(H2,6,7,8,9);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeySRLXMWDZYYCQPX-VWMHFEHESA-N
XLogP-0.81
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
CID 70667708
2-Aminoethyllysine-carbonylmethylene-thymine
CID 5289433
2-[[2-(5-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(pyrrolidin-2-ylmethyl)amino]acetic acid
CID 91221937
2-Amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 21588565
(2S)-2-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 15518556
5-(Carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 18798175
(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-2-carboxylic acid
CID 21044257
(2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid
CID 22863391
(2S)-5-(carbamoylamino)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 53854040
(2R)-1-[(2-methylprop-2-enoylamino)methyl]pyrrolidine-2-carboxylic acid
CID 53922942
(2S)-1-[deuterio-(2-methylprop-2-enoylamino)methyl]pyrrolidine-2-carboxylic acid
CID 53922943
(2S)-1-[(2-methylprop-2-enoylamino)methyl]pyrrolidine-2-carboxylic acid
CID 53922944

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid (CID 160916514) is 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid is Cc1c[nH]c(=O)[nH]c1=O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is SRLXMWDZYYCQPX-VWMHFEHESA-N. The full InChI is InChI=1S/C5H6N2O2.C5H9NO2/c1-3-2-6-5(9)7-4(3)8;7-5(8)4-2-1-3-6-4/h2H,1H3,(H2,6,7,8,9);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1.
What are the key properties of 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of -0.81, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 160916514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).