[(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C16H24N4O2 — CID 128977974

IUPAC[(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncc(C)c(C)n2)C1
InChIInChI=1S/C16H24N4O2/c1-11-9-17-16(18-12(11)2)20-10-13(22-3)8-14(20)15(21)19-6-4-5-7-19/h9,13-14H,4-8,10H2,1-3H3/t13-,14-/m0/s1
InChIKeyULYXOYDXXJWIMY-KBPBESRZSA-N
MW304.39 g/mol
LogP1.31
Rot. Bonds3

About [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 128977974) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID128977974
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncc(C)c(C)n2)C1
InChIInChI=1S/C16H24N4O2/c1-11-9-17-16(18-12(11)2)20-10-13(22-3)8-14(20)15(21)19-6-4-5-7-19/h9,13-14H,4-8,10H2,1-3H3/t13-,14-/m0/s1
InChIKeyULYXOYDXXJWIMY-KBPBESRZSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 128977974) is [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncc(C)c(C)n2)C1.
What is the InChIKey of [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ULYXOYDXXJWIMY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-9-17-16(18-12(11)2)20-10-13(22-3)8-14(20)15(21)19-6-4-5-7-19/h9,13-14H,4-8,10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(4,5-dimethylpyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 128977974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).