N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide

C11H17N3O2 — CID 176873389

IUPACN-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide
SMILESCOc1nc(C)ncc1NC(=O)CC(C)C
InChIInChI=1S/C11H17N3O2/c1-7(2)5-10(15)14-9-6-12-8(3)13-11(9)16-4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyKZFMYVUKQFPAHZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.78
Rot. Bonds4

About N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide

N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide (PubChem CID 176873389) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide
PubChem CID176873389
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide
SMILESCOc1nc(C)ncc1NC(=O)CC(C)C
InChIInChI=1S/C11H17N3O2/c1-7(2)5-10(15)14-9-6-12-8(3)13-11(9)16-4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyKZFMYVUKQFPAHZ-UHFFFAOYSA-N
XLogP1.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-3-pyridinyl)-3-methylbutanamide
CID 176872995
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
CID 91969256
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531
N-(5,8-dimethoxyquinoxalin-6-yl)-3-methylbutanamide
CID 178090618
N-(3-acetamido-2-methylphenyl)-3-methylbutanamide
CID 39975961
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide
CID 165440833
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
CID 134002839
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
methyl 2-methyl-3-(3-methylbutanoylamino)benzoate
CID 17297258

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide?
The IUPAC name of N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide (CID 176873389) is N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide.
What is the SMILES notation for N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide?
The canonical SMILES for N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide is COc1nc(C)ncc1NC(=O)CC(C)C.
What is the InChIKey of N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide?
The InChIKey is KZFMYVUKQFPAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)5-10(15)14-9-6-12-8(3)13-11(9)16-4/h6-7H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide?
N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide has a molecular weight of 223.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide is sourced from PubChem (CID 176873389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).