N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine

C12H21N3O — CID 66325089

IUPACN-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC(C)C(C)C)nc(C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)9(3)7-13-11-6-12(16-5)15-10(4)14-11/h6,8-9H,7H2,1-5H3,(H,13,14,15)
InChIKeyDABJJDJJDZQHBJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.50
Rot. Bonds5

About N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine

N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66325089) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66325089
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC(C)C(C)C)nc(C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)9(3)7-13-11-6-12(16-5)15-10(4)14-11/h6,8-9H,7H2,1-5H3,(H,13,14,15)
InChIKeyDABJJDJJDZQHBJ-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine (CID 66325089) is N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCC(C)C(C)C)nc(C)n1.
What is the InChIKey of N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is DABJJDJJDZQHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)9(3)7-13-11-6-12(16-5)15-10(4)14-11/h6,8-9H,7H2,1-5H3,(H,13,14,15).
What are the key properties of N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine?
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66325089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).