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

C10H18N4 — CID 4077433

IUPAC2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(CCC2=NCCCN2)NC1
InChIInChI=1S/C10H18N4/c1-5-11-9(12-6-1)3-4-10-13-7-2-8-14-10/h1-8H2,(H,11,12)(H,13,14)
InChIKeyBPUNIQXTMLGALS-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.55
Rot. Bonds3

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

2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 4077433) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID4077433
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(CCC2=NCCCN2)NC1
InChIInChI=1S/C10H18N4/c1-5-11-9(12-6-1)3-4-10-13-7-2-8-14-10/h1-8H2,(H,11,12)(H,13,14)
InChIKeyBPUNIQXTMLGALS-UHFFFAOYSA-N
XLogP0.55
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine (CID 4077433) is 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine is C1CN=C(CCC2=NCCCN2)NC1.
What is the InChIKey of 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is BPUNIQXTMLGALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-5-11-9(12-6-1)3-4-10-13-7-2-8-14-10/h1-8H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 194.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 4077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).