N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine

C13H22N4O — CID 80870434

IUPACN-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCCN2CCCC2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-3-14-12-10-13(16-11(2)15-12)18-9-8-17-6-4-5-7-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyCJMPMWVWERJCGE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.69
Rot. Bonds6

About N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine

N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine (PubChem CID 80870434) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
PubChem CID80870434
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCCN2CCCC2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-3-14-12-10-13(16-11(2)15-12)18-9-8-17-6-4-5-7-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyCJMPMWVWERJCGE-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-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-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine (CID 80870434) is N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine is CCNc1cc(OCCN2CCCC2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine?
The InChIKey is CJMPMWVWERJCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-14-12-10-13(16-11(2)15-12)18-9-8-17-6-4-5-7-17/h10H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine?
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80870434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).