methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate

C11H15N3O3 — CID 137007680

IUPACmethyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(c2cc(=O)[nH]cn2)CC1C
InChIInChI=1S/C11H15N3O3/c1-7-4-14(5-8(7)11(16)17-2)9-3-10(15)13-6-12-9/h3,6-8H,4-5H2,1-2H3,(H,12,13,15)
InChIKeyBFGRCGSGNBAGQQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.02
Rot. Bonds2

About methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate

methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 137007680) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID137007680
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(c2cc(=O)[nH]cn2)CC1C
InChIInChI=1S/C11H15N3O3/c1-7-4-14(5-8(7)11(16)17-2)9-3-10(15)13-6-12-9/h3,6-8H,4-5H2,1-2H3,(H,12,13,15)
InChIKeyBFGRCGSGNBAGQQ-UHFFFAOYSA-N
XLogP0.02
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689835
(3S,4S)-4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689837
1-(6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136792256
4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136957945
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958828
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958878
3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958883
4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958916
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958918
2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136959258
methyl 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
CID 136989695
methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
CID 136989696

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate (CID 137007680) is methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CN(c2cc(=O)[nH]cn2)CC1C.
What is the InChIKey of methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is BFGRCGSGNBAGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-14(5-8(7)11(16)17-2)9-3-10(15)13-6-12-9/h3,6-8H,4-5H2,1-2H3,(H,12,13,15).
What are the key properties of methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate?
methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 137007680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).