N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine

C13H24N4O — CID 66317906

IUPACN-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1cc(N(C)CCNC(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-6-18-12-9-11(14-10-15-12)17(5)8-7-16-13(2,3)4/h9-10,16H,6-8H2,1-5H3
InChIKeyAYMSLADSAQZABU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds6

About N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine

N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 66317906) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID66317906
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1cc(N(C)CCNC(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-6-18-12-9-11(14-10-15-12)17(5)8-7-16-13(2,3)4/h9-10,16H,6-8H2,1-5H3
InChIKeyAYMSLADSAQZABU-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-N'-(6-ethoxypyrimidin-4-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-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine (CID 66317906) is N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine is CCOc1cc(N(C)CCNC(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is AYMSLADSAQZABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-18-12-9-11(14-10-15-12)17(5)8-7-16-13(2,3)4/h9-10,16H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 66317906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).