2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide

C15H24N4O3 — CID 146113160

IUPAC2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide
SMILESCCOc1nc(N2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)ncc1C
InChIInChI=1S/C15H24N4O3/c1-5-22-14-10(2)7-16-15(17-14)19-8-11(12(20)9-19)6-13(21)18(3)4/h7,11-12,20H,5-6,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyRVPREZFIKCZXPT-VXGBXAGGSA-N
MW308.38 g/mol
LogP0.46
Rot. Bonds5

About 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide

2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide (PubChem CID 146113160) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide
PubChem CID146113160
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide
SMILESCCOc1nc(N2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)ncc1C
InChIInChI=1S/C15H24N4O3/c1-5-22-14-10(2)7-16-15(17-14)19-8-11(12(20)9-19)6-13(21)18(3)4/h7,11-12,20H,5-6,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyRVPREZFIKCZXPT-VXGBXAGGSA-N
XLogP0.46
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 145911984
CID 145911984
CID 146153861
CID 146153861

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide (CID 146113160) is 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide is CCOc1nc(N2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)ncc1C.
What is the InChIKey of 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is RVPREZFIKCZXPT-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-5-22-14-10(2)7-16-15(17-14)19-8-11(12(20)9-19)6-13(21)18(3)4/h7,11-12,20H,5-6,8-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide?
2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 308.38 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 146113160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).