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

C8H15N3 — CID 67040574

IUPAC6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC1CCNC2=NCCCN21
InChIInChI=1S/C8H15N3/c1-7-3-5-10-8-9-4-2-6-11(7)8/h7H,2-6H2,1H3,(H,9,10)
InChIKeyXUBFPWUIJGCVNV-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.43
Rot. Bonds

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

6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 67040574) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID67040574
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC1CCNC2=NCCCN21
InChIInChI=1S/C8H15N3/c1-7-3-5-10-8-9-4-2-6-11(7)8/h7H,2-6H2,1H3,(H,9,10)
InChIKeyXUBFPWUIJGCVNV-UHFFFAOYSA-N
XLogP0.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 67040574) is 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CC1CCNC2=NCCCN21.
What is the InChIKey of 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is XUBFPWUIJGCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7-3-5-10-8-9-4-2-6-11(7)8/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 153.23 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 67040574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).