N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide

C18H22N4O2S — CID 91783191

IUPACN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CC(c2cc(N3CCC(O)C3)ncn2)C1
InChIInChI=1S/C18H22N4O2S/c23-15-1-3-22(9-15)17-8-16(19-11-20-17)13-6-14(7-13)21-18(24)5-12-2-4-25-10-12/h2,4,8,10-11,13-15,23H,1,3,5-7,9H2,(H,21,24)
InChIKeyHTVIWYOFKXUUMO-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.71
Rot. Bonds5

About N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide

N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide (PubChem CID 91783191) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide
PubChem CID91783191
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CC(c2cc(N3CCC(O)C3)ncn2)C1
InChIInChI=1S/C18H22N4O2S/c23-15-1-3-22(9-15)17-8-16(19-11-20-17)13-6-14(7-13)21-18(24)5-12-2-4-25-10-12/h2,4,8,10-11,13-15,23H,1,3,5-7,9H2,(H,21,24)
InChIKeyHTVIWYOFKXUUMO-UHFFFAOYSA-N
XLogP1.71
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-1H-1,2,4-triazole-5-carboxamide
CID 91784647
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124573434
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126848882
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591089
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133298747
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-thiophen-3-ylacetamide
CID 91782622
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide (CID 91783191) is N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CC(c2cc(N3CCC(O)C3)ncn2)C1.
What is the InChIKey of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide?
The InChIKey is HTVIWYOFKXUUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-15-1-3-22(9-15)17-8-16(19-11-20-17)13-6-14(7-13)21-18(24)5-12-2-4-25-10-12/h2,4,8,10-11,13-15,23H,1,3,5-7,9H2,(H,21,24).
What are the key properties of N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide?
N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide has a molecular weight of 358.47 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]cyclobutyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91783191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).