N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine

C22H24N10 — CID 139725579

IUPACN,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine
SMILESc1cnc(CN(CCN(Cc2ncccn2)Cc2ncccn2)Cc2ncccn2)nc1
InChIInChI=1S/C22H24N10/c1-5-23-19(24-6-1)15-31(16-20-25-7-2-8-26-20)13-14-32(17-21-27-9-3-10-28-21)18-22-29-11-4-12-30-22/h1-12H,13-18H2
InChIKeyFIRVUHZFGDXZSW-UHFFFAOYSA-N
MW428.50 g/mol
LogP1.55
Rot. Bonds11

About N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine

N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 139725579) has the molecular formula C22H24N10 and a molecular weight of 428.50 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine
PubChem CID139725579
Molecular FormulaC22H24N10
Molecular Weight428.50 g/mol
Exact Mass428.22
IUPAC NameN,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine
SMILESc1cnc(CN(CCN(Cc2ncccn2)Cc2ncccn2)Cc2ncccn2)nc1
InChIInChI=1S/C22H24N10/c1-5-23-19(24-6-1)15-31(16-20-25-7-2-8-26-20)13-14-32(17-21-27-9-3-10-28-21)18-22-29-11-4-12-30-22/h1-12H,13-18H2
InChIKeyFIRVUHZFGDXZSW-UHFFFAOYSA-N
XLogP1.55
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)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,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine (CID 139725579) is N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine is c1cnc(CN(CCN(Cc2ncccn2)Cc2ncccn2)Cc2ncccn2)nc1.
What is the InChIKey of N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is FIRVUHZFGDXZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10/c1-5-23-19(24-6-1)15-31(16-20-25-7-2-8-26-20)13-14-32(17-21-27-9-3-10-28-21)18-22-29-11-4-12-30-22/h1-12H,13-18H2.
What are the key properties of N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 428.50 g/mol, XLogP of 1.55, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(pyrimidin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 139725579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).