N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide

C10H13N3O — CID 166406906

IUPACN-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)nc(CC)n1
InChIInChI=1S/C10H13N3O/c1-4-8-11-7(3)6-9(12-8)13-10(14)5-2/h5-6H,2,4H2,1,3H3,(H,11,12,13,14)
InChIKeyADVAGZJOZFMDDS-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.47
Rot. Bonds3

About N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide

N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide (PubChem CID 166406906) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide
PubChem CID166406906
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)nc(CC)n1
InChIInChI=1S/C10H13N3O/c1-4-8-11-7(3)6-9(12-8)13-10(14)5-2/h5-6H,2,4H2,1,3H3,(H,11,12,13,14)
InChIKeyADVAGZJOZFMDDS-UHFFFAOYSA-N
XLogP1.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-4-aminopyrimidine
CID 68039
2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
2-Ethyl-6-methylpyrimidin-4-amine
CID 12494902
N,2,6-Trimethylpyrimidin-4-amine
CID 22978236
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-ethyl-
CID 3061666
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-(1-methylethyl)-
CID 3061667
2-Isopropyl-6-methylpyrimidin-4-amine
CID 13439269
N-(4,6-dimethyl-2-pyrimidinyl)-2-methylpropanamide
CID 1234520
Pyrimidine, 4-t-butylamino-2,6-dimethyl-
CID 21059233
2-Methoxy-6-methylpyrimidin-4-amine
CID 549434
N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
CID 43616346

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide?
The IUPAC name of N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide (CID 166406906) is N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide?
The canonical SMILES for N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide is C=CC(=O)Nc1cc(C)nc(CC)n1.
What is the InChIKey of N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide?
The InChIKey is ADVAGZJOZFMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-8-11-7(3)6-9(12-8)13-10(14)5-2/h5-6H,2,4H2,1,3H3,(H,11,12,13,14).
What are the key properties of N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide?
N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide is sourced from PubChem (CID 166406906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).