N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine

C13H24N4O — CID 114134754

IUPACN'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccnc(NCCN(C)C(C)CC)n1
InChIInChI=1S/C13H24N4O/c1-5-11(3)17(4)10-9-15-13-14-8-7-12(16-13)18-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,15,16)
InChIKeyMVTKQOPMJHWMQN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.02
Rot. Bonds8

About N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine

N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 114134754) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID114134754
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccnc(NCCN(C)C(C)CC)n1
InChIInChI=1S/C13H24N4O/c1-5-11(3)17(4)10-9-15-13-14-8-7-12(16-13)18-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,15,16)
InChIKeyMVTKQOPMJHWMQN-UHFFFAOYSA-N
XLogP2.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-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 N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 114134754) is N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine is CCOc1ccnc(NCCN(C)C(C)CC)n1.
What is the InChIKey of N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is MVTKQOPMJHWMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11(3)17(4)10-9-15-13-14-8-7-12(16-13)18-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,15,16).
What are the key properties of N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114134754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).