2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide

C18H20N4O — CID 133472822

IUPAC2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)CN(C)c2cc(CC)nc(C)n2)c1
InChIInChI=1S/C18H20N4O/c1-5-14-8-7-9-16(10-14)21-18(23)12-22(4)17-11-15(6-2)19-13(3)20-17/h1,7-11H,6,12H2,2-4H3,(H,21,23)
InChIKeyDEOMMNVPWNRBMQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.40
Rot. Bonds5

About 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide

2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide (PubChem CID 133472822) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide
PubChem CID133472822
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)CN(C)c2cc(CC)nc(C)n2)c1
InChIInChI=1S/C18H20N4O/c1-5-14-8-7-9-16(10-14)21-18(23)12-22(4)17-11-15(6-2)19-13(3)20-17/h1,7-11H,6,12H2,2-4H3,(H,21,23)
InChIKeyDEOMMNVPWNRBMQ-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethynylphenyl)-2-[methyl(1,2,4-thiadiazol-5-yl)amino]acetamide
CID 91651089
2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 78902898
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
N-(3-ethynylphenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 110898647
N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 110898649
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
(E)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55993599
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 55959084
N-(3-ethynylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924300
tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721
3,4-diethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835265
4-butoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835518

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide?
The IUPAC name of 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide (CID 133472822) is 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide.
What is the SMILES notation for 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide?
The canonical SMILES for 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide is C#Cc1cccc(NC(=O)CN(C)c2cc(CC)nc(C)n2)c1.
What is the InChIKey of 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide?
The InChIKey is DEOMMNVPWNRBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-5-14-8-7-9-16(10-14)21-18(23)12-22(4)17-11-15(6-2)19-13(3)20-17/h1,7-11H,6,12H2,2-4H3,(H,21,23).
What are the key properties of 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide?
2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide is sourced from PubChem (CID 133472822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).