3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide

C18H23N3O3S — CID 91779224

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C18H23N3O3S/c1-10-14(11(2)20-18(24)19-10)5-6-16(23)21-17(12-8-13(22)9-12)15-4-3-7-25-15/h3-4,7,12-13,17,22H,5-6,8-9H2,1-2H3,(H,21,23)(H,19,20,24)
InChIKeyVSRSOCGKTAUVBY-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.01
Rot. Bonds6

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide (PubChem CID 91779224) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
PubChem CID91779224
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C18H23N3O3S/c1-10-14(11(2)20-18(24)19-10)5-6-16(23)21-17(12-8-13(22)9-12)15-4-3-7-25-15/h3-4,7,12-13,17,22H,5-6,8-9H2,1-2H3,(H,21,23)(H,19,20,24)
InChIKeyVSRSOCGKTAUVBY-UHFFFAOYSA-N
XLogP2.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91793745
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 91770476
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91766589
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 91782926
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91770832
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91763986
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 136865934
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91795005
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75439947
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91779274
5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91795552

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide (CID 91779224) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NC(c1cccs1)C1CC(O)C1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide?
The InChIKey is VSRSOCGKTAUVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-10-14(11(2)20-18(24)19-10)5-6-16(23)21-17(12-8-13(22)9-12)15-4-3-7-25-15/h3-4,7,12-13,17,22H,5-6,8-9H2,1-2H3,(H,21,23)(H,19,20,24).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide is sourced from PubChem (CID 91779224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).