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

C8H15N3 — CID 22361674

IUPAC9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine
SMILESCN1CCCN2C=CCNC12
InChIInChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2,6,8-9H,3-5,7H2,1H3
InChIKeyPZAUZOXWTHJXKO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.02
Rot. Bonds

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

9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 22361674) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID22361674
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine
SMILESCN1CCCN2C=CCNC12
InChIInChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2,6,8-9H,3-5,7H2,1H3
InChIKeyPZAUZOXWTHJXKO-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 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine (CID 22361674) is 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine is CN1CCCN2C=CCNC12.
What is the InChIKey of 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is PZAUZOXWTHJXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2,6,8-9H,3-5,7H2,1H3.
What are the key properties of 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine?
9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-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 9-methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 22361674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).