N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide

C12H17N3O2 — CID 10331635

IUPACN-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide
SMILESCCO/C=C\c1c(C)nc(C)nc1NC(C)=O
InChIInChI=1S/C12H17N3O2/c1-5-17-7-6-11-8(2)13-9(3)14-12(11)15-10(4)16/h6-7H,5H2,1-4H3,(H,13,14,15,16)/b7-6-
InChIKeyYNUJRBFYWQZWOJ-SREVYHEPSA-N
MW235.29 g/mol
LogP2.06
Rot. Bonds4

About N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide

N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide (PubChem CID 10331635) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide
PubChem CID10331635
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide
SMILESCCO/C=C\c1c(C)nc(C)nc1NC(C)=O
InChIInChI=1S/C12H17N3O2/c1-5-17-7-6-11-8(2)13-9(3)14-12(11)15-10(4)16/h6-7H,5H2,1-4H3,(H,13,14,15,16)/b7-6-
InChIKeyYNUJRBFYWQZWOJ-SREVYHEPSA-N
XLogP2.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
2-Amino-4-methylpyrido[2,3-D]pyrimidin-7(8H)-one
CID 44713836
2-ethyl-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141302006
N-(2-amino-5,6-dimethylpyrimidin-4-yl)acetamide
CID 143012525
2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 154196995
N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide
CID 163899374
N-(2-acetamido-5,6-dimethylpyrimidin-4-yl)acetamide
CID 169572844
2-methyl-4-(trideuteriomethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175791444
N-(2,5,6-trimethylpyrimidin-4-yl)acetamide
CID 256710
N-(2-ethyl-5,6-dimethylpyrimidin-4-yl)propanamide
CID 21813322

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide (CID 10331635) is N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide is CCO/C=C\c1c(C)nc(C)nc1NC(C)=O.
What is the InChIKey of N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide?
The InChIKey is YNUJRBFYWQZWOJ-SREVYHEPSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-5-17-7-6-11-8(2)13-9(3)14-12(11)15-10(4)16/h6-7H,5H2,1-4H3,(H,13,14,15,16)/b7-6-.
What are the key properties of N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide?
N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide has a molecular weight of 235.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 10331635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).