2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide

C11H17N3O2 — CID 88917931

IUPAC2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide
SMILESCONC(=O)Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-6-12-9(13-7-8)5-10(15)14-16-4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyBFZJCBPHEOJQAD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.99
Rot. Bonds3

About 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide

2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide (PubChem CID 88917931) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide
PubChem CID88917931
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide
SMILESCONC(=O)Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-6-12-9(13-7-8)5-10(15)14-16-4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyBFZJCBPHEOJQAD-UHFFFAOYSA-N
XLogP0.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-tert-butylpyrimidin-2-yl)propan-2-one
CID 165372273
tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate
CID 158312232
N-methoxy-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(methoxyamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide
CID 101410671
2-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263070
1-(5-tert-butylpyrimidin-2-yl)-4,4-dimethylpentane-1,3-dione
CID 123191421
5-tert-butyl-2-(2-methoxyethoxy)pyrimidine
CID 170179546
5-tert-butyl-2-(ethoxymethyl)pyrimidine
CID 165371921
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
2-(5-methoxycarbonylpyrimidin-2-yl)ethanethioic S-acid
CID 57468294
N,3-dimethoxy-3-methylbutanamide
CID 103021007

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide?
The IUPAC name of 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide (CID 88917931) is 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide.
What is the SMILES notation for 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide?
The canonical SMILES for 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide is CONC(=O)Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide?
The InChIKey is BFZJCBPHEOJQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)8-6-12-9(13-7-8)5-10(15)14-16-4/h6-7H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide?
2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide is sourced from PubChem (CID 88917931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).