N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide

C20H23N5O4 — CID 135551662

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2OC)[nH]c1=O
InChIInChI=1S/C20H23N5O4/c1-6-14-12(3)21-20(23-18(14)26)25-17(9-11(2)24-25)22-19(27)15-8-7-13(28-4)10-16(15)29-5/h7-10H,6H2,1-5H3,(H,22,27)(H,21,23,26)
InChIKeyGUAZTEOBIPGLKZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide (PubChem CID 135551662) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
PubChem CID135551662
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2OC)[nH]c1=O
InChIInChI=1S/C20H23N5O4/c1-6-14-12(3)21-20(23-18(14)26)25-17(9-11(2)24-25)22-19(27)15-8-7-13(28-4)10-16(15)29-5/h7-10H,6H2,1-5H3,(H,22,27)(H,21,23,26)
InChIKeyGUAZTEOBIPGLKZ-UHFFFAOYSA-N
XLogP2.40
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide (CID 135551662) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2OC)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is GUAZTEOBIPGLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-6-14-12(3)21-20(23-18(14)26)25-17(9-11(2)24-25)22-19(27)15-8-7-13(28-4)10-16(15)29-5/h7-10H,6H2,1-5H3,(H,22,27)(H,21,23,26).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 397.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 135551662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).