3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide

C17H23N3O2S — CID 75439947

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
SMILESCc1cc(C(C)NC(=O)CCc2c(C)nc(=O)[nH]c2C)c(C)s1
InChIInChI=1S/C17H23N3O2S/c1-9-8-15(13(5)23-9)12(4)18-16(21)7-6-14-10(2)19-17(22)20-11(14)3/h8,12H,6-7H2,1-5H3,(H,18,21)(H,19,20,22)
InChIKeyMSGHJTCKNDVOMC-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.88
Rot. Bonds5

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

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide (PubChem CID 75439947) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
PubChem CID75439947
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
SMILESCc1cc(C(C)NC(=O)CCc2c(C)nc(=O)[nH]c2C)c(C)s1
InChIInChI=1S/C17H23N3O2S/c1-9-8-15(13(5)23-9)12(4)18-16(21)7-6-14-10(2)19-17(22)20-11(14)3/h8,12H,6-7H2,1-5H3,(H,18,21)(H,19,20,22)
InChIKeyMSGHJTCKNDVOMC-UHFFFAOYSA-N
XLogP2.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
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N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide (CID 75439947) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide is Cc1cc(C(C)NC(=O)CCc2c(C)nc(=O)[nH]c2C)c(C)s1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The InChIKey is MSGHJTCKNDVOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-9-8-15(13(5)23-9)12(4)18-16(21)7-6-14-10(2)19-17(22)20-11(14)3/h8,12H,6-7H2,1-5H3,(H,18,21)(H,19,20,22).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide is sourced from PubChem (CID 75439947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).