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

C9H17N3 — CID 67533921

IUPAC2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine
SMILESCC1CC(C)N2CCCN=C2N1
InChIInChI=1S/C9H17N3/c1-7-6-8(2)12-5-3-4-10-9(12)11-7/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyJAQPBKRMYZOTHW-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.82
Rot. Bonds

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

2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine (PubChem CID 67533921) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine
PubChem CID67533921
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine
SMILESCC1CC(C)N2CCCN=C2N1
InChIInChI=1S/C9H17N3/c1-7-6-8(2)12-5-3-4-10-9(12)11-7/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyJAQPBKRMYZOTHW-UHFFFAOYSA-N
XLogP0.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine (CID 67533921) is 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine is CC1CC(C)N2CCCN=C2N1.
What is the InChIKey of 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine?
The InChIKey is JAQPBKRMYZOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-6-8(2)12-5-3-4-10-9(12)11-7/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine?
2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine has a molecular weight of 167.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 67533921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).