N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine

C15H20N4 — CID 117212070

IUPACN'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
SMILESCC(C)c1nc(-c2ccccc2)ncc1NCCN
InChIInChI=1S/C15H20N4/c1-11(2)14-13(17-9-8-16)10-18-15(19-14)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9,16H2,1-2H3
InChIKeyAYDUYEAMNRRIPC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.64
Rot. Bonds5

About N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine

N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine (PubChem CID 117212070) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
PubChem CID117212070
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
SMILESCC(C)c1nc(-c2ccccc2)ncc1NCCN
InChIInChI=1S/C15H20N4/c1-11(2)14-13(17-9-8-16)10-18-15(19-14)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9,16H2,1-2H3
InChIKeyAYDUYEAMNRRIPC-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-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'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine (CID 117212070) is N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine is CC(C)c1nc(-c2ccccc2)ncc1NCCN.
What is the InChIKey of N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine?
The InChIKey is AYDUYEAMNRRIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)14-13(17-9-8-16)10-18-15(19-14)12-6-4-3-5-7-12/h3-7,10-11,17H,8-9,16H2,1-2H3.
What are the key properties of N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine?
N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 117212070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).