2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide

C19H21N5O3 — CID 91829160

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)Cn2c(C)cc(C)nc2=O)cc1
InChIInChI=1S/C19H21N5O3/c1-12-8-13(2)24(19(26)22-12)11-17(25)20-9-15-10-21-23-18(15)14-4-6-16(27-3)7-5-14/h4-8,10H,9,11H2,1-3H3,(H,20,25)(H,21,23)
InChIKeyQCRBPELNVYFXSA-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.58
Rot. Bonds6

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 91829160) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide
PubChem CID91829160
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)Cn2c(C)cc(C)nc2=O)cc1
InChIInChI=1S/C19H21N5O3/c1-12-8-13(2)24(19(26)22-12)11-17(25)20-9-15-10-21-23-18(15)14-4-6-16(27-3)7-5-14/h4-8,10H,9,11H2,1-3H3,(H,20,25)(H,21,23)
InChIKeyQCRBPELNVYFXSA-UHFFFAOYSA-N
XLogP1.58
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 118795212
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122560013
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70772191
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370620
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 167887384
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370633
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]acetamide
CID 154862308
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 46977763
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 90649136
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122558814
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide
CID 24791239

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide (CID 91829160) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide is COc1ccc(-c2[nH]ncc2CNC(=O)Cn2c(C)cc(C)nc2=O)cc1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
The InChIKey is QCRBPELNVYFXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-8-13(2)24(19(26)22-12)11-17(25)20-9-15-10-21-23-18(15)14-4-6-16(27-3)7-5-14/h4-8,10H,9,11H2,1-3H3,(H,20,25)(H,21,23).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 91829160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).