3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine

C12H20N4O2 — CID 112638750

IUPAC3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine
SMILESCCOc1ccnc(NC2C(N)CC2OCC)n1
InChIInChI=1S/C12H20N4O2/c1-3-17-9-7-8(13)11(9)16-12-14-6-5-10(15-12)18-4-2/h5-6,8-9,11H,3-4,7,13H2,1-2H3,(H,14,15,16)
InChIKeyZCCBVCIFAVPNFF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.79
Rot. Bonds6

About 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine

3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine (PubChem CID 112638750) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine
PubChem CID112638750
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine
SMILESCCOc1ccnc(NC2C(N)CC2OCC)n1
InChIInChI=1S/C12H20N4O2/c1-3-17-9-7-8(13)11(9)16-12-14-6-5-10(15-12)18-4-2/h5-6,8-9,11H,3-4,7,13H2,1-2H3,(H,14,15,16)
InChIKeyZCCBVCIFAVPNFF-UHFFFAOYSA-N
XLogP0.79
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine 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 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine (CID 112638750) is 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine is CCOc1ccnc(NC2C(N)CC2OCC)n1.
What is the InChIKey of 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine?
The InChIKey is ZCCBVCIFAVPNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-17-9-7-8(13)11(9)16-12-14-6-5-10(15-12)18-4-2/h5-6,8-9,11H,3-4,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine?
3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-(4-ethoxypyrimidin-2-yl)cyclobutane-1,2-diamine is sourced from PubChem (CID 112638750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).