N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride

C6H16Cl2N4 — CID 139950285

IUPACN'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNC1=NCCCN1
InChIInChI=1S/C6H14N4.2ClH/c7-2-5-10-6-8-3-1-4-9-6;;/h1-5,7H2,(H2,8,9,10);2*1H
InChIKeyYBYQYTYQLIVCNL-UHFFFAOYSA-N
MW215.13 g/mol
LogP-0.27
Rot. Bonds2

About N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride

N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 139950285) has the molecular formula C6H16Cl2N4 and a molecular weight of 215.13 g/mol. Its IUPAC name is N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID139950285
Molecular FormulaC6H16Cl2N4
Molecular Weight215.13 g/mol
Exact Mass214.08
IUPAC NameN'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNC1=NCCCN1
InChIInChI=1S/C6H14N4.2ClH/c7-2-5-10-6-8-3-1-4-9-6;;/h1-5,7H2,(H2,8,9,10);2*1H
InChIKeyYBYQYTYQLIVCNL-UHFFFAOYSA-N
XLogP-0.27
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride (CID 139950285) is N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNC1=NCCCN1.
What is the InChIKey of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is YBYQYTYQLIVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4.2ClH/c7-2-5-10-6-8-3-1-4-9-6;;/h1-5,7H2,(H2,8,9,10);2*1H.
What are the key properties of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride?
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 215.13 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 139950285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).