N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine

C18H16N10 — CID 22561560

IUPACN,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine
SMILESc1cnc(N(CCN(c2ncccn2)c2ncccn2)c2ncccn2)nc1
InChIInChI=1S/C18H16N10/c1-5-19-15(20-6-1)27(16-21-7-2-8-22-16)13-14-28(17-23-9-3-10-24-17)18-25-11-4-12-26-18/h1-12H,13-14H2
InChIKeyIEDYEULKLHAJTP-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.82
Rot. Bonds7

About N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine

N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 22561560) has the molecular formula C18H16N10 and a molecular weight of 372.40 g/mol. Its IUPAC name is N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine
PubChem CID22561560
Molecular FormulaC18H16N10
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine
SMILESc1cnc(N(CCN(c2ncccn2)c2ncccn2)c2ncccn2)nc1
InChIInChI=1S/C18H16N10/c1-5-19-15(20-6-1)27(16-21-7-2-8-22-16)13-14-28(17-23-9-3-10-24-17)18-25-11-4-12-26-18/h1-12H,13-14H2
InChIKeyIEDYEULKLHAJTP-UHFFFAOYSA-N
XLogP1.82
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine (CID 22561560) is N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine is c1cnc(N(CCN(c2ncccn2)c2ncccn2)c2ncccn2)nc1.
What is the InChIKey of N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is IEDYEULKLHAJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N10/c1-5-19-15(20-6-1)27(16-21-7-2-8-22-16)13-14-28(17-23-9-3-10-24-17)18-25-11-4-12-26-18/h1-12H,13-14H2.
What are the key properties of N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine?
N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 372.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetra(pyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 22561560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).