N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide

C18H28N4O2 — CID 72856490

IUPACN-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCCc1c(C)nc(C)nc1N1C[C@H](NC(=O)COC)[C@@H](C2CC2)C1
InChIInChI=1S/C18H28N4O2/c1-5-14-11(2)19-12(3)20-18(14)22-8-15(13-6-7-13)16(9-22)21-17(23)10-24-4/h13,15-16H,5-10H2,1-4H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyMRFUTSMFFWXATE-CVEARBPZSA-N
MW332.45 g/mol
LogP1.63
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide

N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 72856490) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID72856490
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCCc1c(C)nc(C)nc1N1C[C@H](NC(=O)COC)[C@@H](C2CC2)C1
InChIInChI=1S/C18H28N4O2/c1-5-14-11(2)19-12(3)20-18(14)22-8-15(13-6-7-13)16(9-22)21-17(23)10-24-4/h13,15-16H,5-10H2,1-4H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyMRFUTSMFFWXATE-CVEARBPZSA-N
XLogP1.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide (CID 72856490) is N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide is CCc1c(C)nc(C)nc1N1C[C@H](NC(=O)COC)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is MRFUTSMFFWXATE-CVEARBPZSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-14-11(2)19-12(3)20-18(14)22-8-15(13-6-7-13)16(9-22)21-17(23)10-24-4/h13,15-16H,5-10H2,1-4H3,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 332.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 72856490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).