methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate

C11H15N3O2 — CID 133362806

IUPACmethyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2ncccn2)C1
InChIInChI=1S/C11H15N3O2/c1-11(9(15)16-2)4-7-14(8-11)10-12-5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3
InChIKeyNQHGBMJCXDRKIB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds2

About methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate

methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate (PubChem CID 133362806) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate
PubChem CID133362806
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2ncccn2)C1
InChIInChI=1S/C11H15N3O2/c1-11(9(15)16-2)4-7-14(8-11)10-12-5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3
InChIKeyNQHGBMJCXDRKIB-UHFFFAOYSA-N
XLogP0.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362759
methyl 1-(6-amino-2-pyridinyl)-3-methylpyrrolidine-3-carboxylate
CID 156540993
methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362813
methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 133362775
methyl 3-methyl-1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-3-carboxylate
CID 133430325
methyl 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 167845501
methane;methyl (3S)-1-(4-chloro-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylate;methyl (3R)-1-(4-chloro-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylate
CID 160897341
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate
CID 133430323
3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide
CID 155961614
2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine
CID 130934211
3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 91923638

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate (CID 133362806) is methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(c2ncccn2)C1.
What is the InChIKey of methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate?
The InChIKey is NQHGBMJCXDRKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(9(15)16-2)4-7-14(8-11)10-12-5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate?
methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 133362806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).