2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide

C19H21N5O2 — CID 136915020

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H21N5O2/c1-13-16(19(26)22-14(2)21-13)11-18(25)23-17(12-24-10-6-9-20-24)15-7-4-3-5-8-15/h3-10,17H,11-12H2,1-2H3,(H,23,25)(H,21,22,26)/t17-/m1/s1
InChIKeyLCBQQPKYARLQAQ-QGZVFWFLSA-N
MW351.41 g/mol
LogP1.68
Rot. Bonds6

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide (PubChem CID 136915020) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
PubChem CID136915020
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H21N5O2/c1-13-16(19(26)22-14(2)21-13)11-18(25)23-17(12-24-10-6-9-20-24)15-7-4-3-5-8-15/h3-10,17H,11-12H2,1-2H3,(H,23,25)(H,21,22,26)/t17-/m1/s1
InChIKeyLCBQQPKYARLQAQ-QGZVFWFLSA-N
XLogP1.68
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-5-[(1-phenyl-2-pyrazol-1-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 131917525
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 136662139
2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
CID 77094542
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 136704467
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 136890117
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
CID 131919618
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135896922
N-(2-bromophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669960
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide (CID 136915020) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide is Cc1nc(C)c(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide?
The InChIKey is LCBQQPKYARLQAQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-16(19(26)22-14(2)21-13)11-18(25)23-17(12-24-10-6-9-20-24)15-7-4-3-5-8-15/h3-10,17H,11-12H2,1-2H3,(H,23,25)(H,21,22,26)/t17-/m1/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]acetamide is sourced from PubChem (CID 136915020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).