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

C10H19N3 — CID 129179703

IUPAC3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCCC1CN=C2NCCCN2C1
InChIInChI=1S/C10H19N3/c1-2-4-9-7-12-10-11-5-3-6-13(10)8-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyODEIGYQTYVMLBK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.07
Rot. Bonds2

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

3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 129179703) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID129179703
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCCC1CN=C2NCCCN2C1
InChIInChI=1S/C10H19N3/c1-2-4-9-7-12-10-11-5-3-6-13(10)8-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyODEIGYQTYVMLBK-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 129179703) is 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CCCC1CN=C2NCCCN2C1.
What is the InChIKey of 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is ODEIGYQTYVMLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-4-9-7-12-10-11-5-3-6-13(10)8-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
3-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 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 129179703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).