3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide

C15H22N4O3 — CID 95826823

IUPAC3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
SMILESCOCC(=O)N1CCC[C@H]1c1cc(CCC(N)=O)nc(C)n1
InChIInChI=1S/C15H22N4O3/c1-10-17-11(5-6-14(16)20)8-12(18-10)13-4-3-7-19(13)15(21)9-22-2/h8,13H,3-7,9H2,1-2H3,(H2,16,20)/t13-/m0/s1
InChIKeyUYWVKQSUDDPDIE-ZDUSSCGKSA-N
MW306.37 g/mol
LogP0.51
Rot. Bonds6

About 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide

3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide (PubChem CID 95826823) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
PubChem CID95826823
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
SMILESCOCC(=O)N1CCC[C@H]1c1cc(CCC(N)=O)nc(C)n1
InChIInChI=1S/C15H22N4O3/c1-10-17-11(5-6-14(16)20)8-12(18-10)13-4-3-7-19(13)15(21)9-22-2/h8,13H,3-7,9H2,1-2H3,(H2,16,20)/t13-/m0/s1
InChIKeyUYWVKQSUDDPDIE-ZDUSSCGKSA-N
XLogP0.51
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95827338
3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 127244916
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
ethyl 3-[6-(1-formylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoate
CID 175656212
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 132764003
1-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 95844604
1-[(2S)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021298
1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021297
1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110269315
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
3-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256794

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide?
The IUPAC name of 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide (CID 95826823) is 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide.
What is the SMILES notation for 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide?
The canonical SMILES for 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide is COCC(=O)N1CCC[C@H]1c1cc(CCC(N)=O)nc(C)n1.
What is the InChIKey of 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide?
The InChIKey is UYWVKQSUDDPDIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-17-11(5-6-14(16)20)8-12(18-10)13-4-3-7-19(13)15(21)9-22-2/h8,13H,3-7,9H2,1-2H3,(H2,16,20)/t13-/m0/s1.
What are the key properties of 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide?
3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide has a molecular weight of 306.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide is sourced from PubChem (CID 95826823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).