7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine

C8H15N3 — CID 67249317

IUPAC7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine
SMILESCN1CCC2NCC=CN2C1
InChIInChI=1S/C8H15N3/c1-10-6-3-8-9-4-2-5-11(8)7-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyLHDNLLUYFWWZRI-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.02
Rot. Bonds

About 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine

7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine (PubChem CID 67249317) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine
PubChem CID67249317
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine
SMILESCN1CCC2NCC=CN2C1
InChIInChI=1S/C8H15N3/c1-10-6-3-8-9-4-2-5-11(8)7-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyLHDNLLUYFWWZRI-UHFFFAOYSA-N
XLogP0.02
TPSA18.51 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 ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine?
The IUPAC name of 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine (CID 67249317) is 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine.
What is the SMILES notation for 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine?
The canonical SMILES for 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine is CN1CCC2NCC=CN2C1.
What is the InChIKey of 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine?
The InChIKey is LHDNLLUYFWWZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-6-3-8-9-4-2-5-11(8)7-10/h2,5,8-9H,3-4,6-7H2,1H3.
What are the key properties of 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine?
7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine has a molecular weight of 153.23 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine is sourced from PubChem (CID 67249317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).