methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate

C14H21N3O2 — CID 112731117

IUPACmethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C)nc(C(C)C)n2)C1
InChIInChI=1S/C14H21N3O2/c1-9(2)13-15-10(3)7-12(16-13)17-6-5-11(8-17)14(18)19-4/h7,9,11H,5-6,8H2,1-4H3
InChIKeyVCZQKCHKDLEQAL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds3

About methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate

methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 112731117) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID112731117
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C)nc(C(C)C)n2)C1
InChIInChI=1S/C14H21N3O2/c1-9(2)13-15-10(3)7-12(16-13)17-6-5-11(8-17)14(18)19-4/h7,9,11H,5-6,8H2,1-4H3
InChIKeyVCZQKCHKDLEQAL-UHFFFAOYSA-N
XLogP1.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-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

ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
4-(3-bromopyrrolidin-1-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 80667644
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 112731118
methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
CID 84585847
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133354611
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 63390191
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 95318242
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 136989698

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate (CID 112731117) is methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2cc(C)nc(C(C)C)n2)C1.
What is the InChIKey of methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is VCZQKCHKDLEQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)13-15-10(3)7-12(16-13)17-6-5-11(8-17)14(18)19-4/h7,9,11H,5-6,8H2,1-4H3.
What are the key properties of methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate?
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112731117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).