2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine

C11H20N4 — CID 20661587

IUPAC2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(CCCC2=NCCCN2)NC1
InChIInChI=1S/C11H20N4/c1(4-10-12-6-2-7-13-10)5-11-14-8-3-9-15-11/h1-9H2,(H,12,13)(H,14,15)
InChIKeyYRLMSGAKJLCCFZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.94
Rot. Bonds4

About 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine

2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 20661587) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID20661587
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(CCCC2=NCCCN2)NC1
InChIInChI=1S/C11H20N4/c1(4-10-12-6-2-7-13-10)5-11-14-8-3-9-15-11/h1-9H2,(H,12,13)(H,14,15)
InChIKeyYRLMSGAKJLCCFZ-UHFFFAOYSA-N
XLogP0.94
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine (CID 20661587) is 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine is C1CN=C(CCCC2=NCCCN2)NC1.
What is the InChIKey of 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is YRLMSGAKJLCCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1(4-10-12-6-2-7-13-10)5-11-14-8-3-9-15-11/h1-9H2,(H,12,13)(H,14,15).
What are the key properties of 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine?
2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 208.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 20661587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).