6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine

C13H23N3O — CID 66328442

IUPAC6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC(C)CC(C)CC)ncn1
InChIInChI=1S/C13H23N3O/c1-5-10(3)7-11(4)16-12-8-13(17-6-2)15-9-14-12/h8-11H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyRMXAKXRXIGKOOY-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.11
Rot. Bonds7

About 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine

6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine (PubChem CID 66328442) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
PubChem CID66328442
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC(C)CC(C)CC)ncn1
InChIInChI=1S/C13H23N3O/c1-5-10(3)7-11(4)16-12-8-13(17-6-2)15-9-14-12/h8-11H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyRMXAKXRXIGKOOY-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethoxy-N-(4-methylhexan-2-yl)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 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine (CID 66328442) is 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine is CCOc1cc(NC(C)CC(C)CC)ncn1.
What is the InChIKey of 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine?
The InChIKey is RMXAKXRXIGKOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-10(3)7-11(4)16-12-8-13(17-6-2)15-9-14-12/h8-11H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine?
6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66328442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).