2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C14H24N6 — CID 176518117

IUPAC2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESC1CNC2=NC(C3CCN4CCCN=C4N3)CCN2C1
InChIInChI=1S/C14H24N6/c1-5-15-13-17-11(3-9-19(13)7-1)12-4-10-20-8-2-6-16-14(20)18-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKeyHSZYXUWJPXCCLI-UHFFFAOYSA-N
MW276.39 g/mol
LogP-0.17
Rot. Bonds1

About 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 176518117) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID176518117
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESC1CNC2=NC(C3CCN4CCCN=C4N3)CCN2C1
InChIInChI=1S/C14H24N6/c1-5-15-13-17-11(3-9-19(13)7-1)12-4-10-20-8-2-6-16-14(20)18-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKeyHSZYXUWJPXCCLI-UHFFFAOYSA-N
XLogP-0.17
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 176518117) is 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is C1CNC2=NC(C3CCN4CCCN=C4N3)CCN2C1.
What is the InChIKey of 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is HSZYXUWJPXCCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-5-15-13-17-11(3-9-19(13)7-1)12-4-10-20-8-2-6-16-14(20)18-12/h11-12H,1-10H2,(H,15,17)(H,16,18).
What are the key properties of 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 276.39 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidin-2-yl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 176518117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).