methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate

C15H22N4O3 — CID 95570941

IUPACmethyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C15H22N4O3/c1-9(2)13-16-10(3)8-12(17-13)18-14(20)11-6-5-7-19(11)15(21)22-4/h8-9,11H,5-7H2,1-4H3,(H,16,17,18,20)/t11-/m1/s1
InChIKeyNKKSIXWPCJRQKM-LLVKDONJSA-N
MW306.37 g/mol
LogP2.08
Rot. Bonds3

About methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate

methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 95570941) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID95570941
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Namemethyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C15H22N4O3/c1-9(2)13-16-10(3)8-12(17-13)18-14(20)11-6-5-7-19(11)15(21)22-4/h8-9,11H,5-7H2,1-4H3,(H,16,17,18,20)/t11-/m1/s1
InChIKeyNKKSIXWPCJRQKM-LLVKDONJSA-N
XLogP2.08
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-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

N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 56801215
methyl (2R)-2-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 97018994
methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754545
methyl 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754548
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
methyl 2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754602
tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate
CID 76831366
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentanamide
CID 60600626
methyl (2S)-2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 137148249

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 95570941) is methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate is COC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)nc(C(C)C)n1.
What is the InChIKey of methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is NKKSIXWPCJRQKM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)13-16-10(3)8-12(17-13)18-14(20)11-6-5-7-19(11)15(21)22-4/h8-9,11H,5-7H2,1-4H3,(H,16,17,18,20)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate?
methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 95570941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).