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

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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).