3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide

C17H20ClN3O3 — CID 136570853

IUPAC3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide
SMILESCc1c(O)nc(CCN(C)C(=O)CCc2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C17H20ClN3O3/c1-11-16(23)19-14(20-17(11)24)8-9-21(2)15(22)7-6-12-4-3-5-13(18)10-12/h3-5,10H,6-9H2,1-2H3,(H2,19,20,23,24)
InChIKeyXTNLAYHGTDGZGN-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.07
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide

3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide (PubChem CID 136570853) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide
PubChem CID136570853
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide
SMILESCc1c(O)nc(CCN(C)C(=O)CCc2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C17H20ClN3O3/c1-11-16(23)19-14(20-17(11)24)8-9-21(2)15(22)7-6-12-4-3-5-13(18)10-12/h3-5,10H,6-9H2,1-2H3,(H2,19,20,23,24)
InChIKeyXTNLAYHGTDGZGN-UHFFFAOYSA-N
XLogP2.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide (CID 136570853) is 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide is Cc1c(O)nc(CCN(C)C(=O)CCc2cccc(Cl)c2)[nH]c1=O.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide?
The InChIKey is XTNLAYHGTDGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11-16(23)19-14(20-17(11)24)8-9-21(2)15(22)7-6-12-4-3-5-13(18)10-12/h3-5,10H,6-9H2,1-2H3,(H2,19,20,23,24).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide?
3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide has a molecular weight of 349.82 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 136570853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).