2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine

C11H24N4 — CID 110915360

IUPAC2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNC1=NCCCN1
InChIInChI=1S/C11H24N4/c1-4-15(5-2)10(3)9-14-11-12-7-6-8-13-11/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyVVQBMEAOODDZBJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.66
Rot. Bonds5

About 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine

2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine (PubChem CID 110915360) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
PubChem CID110915360
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)CNC1=NCCCN1
InChIInChI=1S/C11H24N4/c1-4-15(5-2)10(3)9-14-11-12-7-6-8-13-11/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyVVQBMEAOODDZBJ-UHFFFAOYSA-N
XLogP0.66
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine (CID 110915360) is 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine is CCN(CC)C(C)CNC1=NCCCN1.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is VVQBMEAOODDZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-15(5-2)10(3)9-14-11-12-7-6-8-13-11/h10H,4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 110915360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).