6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C10H19N3 — CID 139392371

IUPAC6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCCC1CCNC2=NCCCN21
InChIInChI=1S/C10H19N3/c1-2-4-9-5-7-12-10-11-6-3-8-13(9)10/h9H,2-8H2,1H3,(H,11,12)
InChIKeyOOTASUZCYQJEPY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.21
Rot. Bonds2

About 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 139392371) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID139392371
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCCC1CCNC2=NCCCN21
InChIInChI=1S/C10H19N3/c1-2-4-9-5-7-12-10-11-6-3-8-13(9)10/h9H,2-8H2,1H3,(H,11,12)
InChIKeyOOTASUZCYQJEPY-UHFFFAOYSA-N
XLogP1.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 139392371) is 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CCCC1CCNC2=NCCCN21.
What is the InChIKey of 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is OOTASUZCYQJEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-4-9-5-7-12-10-11-6-3-8-13(9)10/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 181.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 139392371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).