2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine

C16H27N3O2 — CID 106451543

IUPAC2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(OCCOCC(C)C)c1C
InChIInChI=1S/C16H27N3O2/c1-5-17-14-12(4)16(19-15(18-14)13-6-7-13)21-9-8-20-10-11(2)3/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyLJZCLXSWBXIETQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.15
Rot. Bonds9

About 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine

2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine (PubChem CID 106451543) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
PubChem CID106451543
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(OCCOCC(C)C)c1C
InChIInChI=1S/C16H27N3O2/c1-5-17-14-12(4)16(19-15(18-14)13-6-7-13)21-9-8-20-10-11(2)3/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyLJZCLXSWBXIETQ-UHFFFAOYSA-N
XLogP3.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]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 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine (CID 106451543) is 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine is CCNc1nc(C2CC2)nc(OCCOCC(C)C)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine?
The InChIKey is LJZCLXSWBXIETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-17-14-12(4)16(19-15(18-14)13-6-7-13)21-9-8-20-10-11(2)3/h11,13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 106451543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).