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

C9H16N2 — CID 139812379

IUPAC4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
SMILESCC1=CCNC2CCCCN12
InChIInChI=1S/C9H16N2/c1-8-5-6-10-9-4-2-3-7-11(8)9/h5,9-10H,2-4,6-7H2,1H3
InChIKeyZTIFNQZVFGOOQB-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.31
Rot. Bonds

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

4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine (PubChem CID 139812379) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
PubChem CID139812379
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
SMILESCC1=CCNC2CCCCN12
InChIInChI=1S/C9H16N2/c1-8-5-6-10-9-4-2-3-7-11(8)9/h5,9-10H,2-4,6-7H2,1H3
InChIKeyZTIFNQZVFGOOQB-UHFFFAOYSA-N
XLogP1.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine (CID 139812379) is 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine is CC1=CCNC2CCCCN12.
What is the InChIKey of 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The InChIKey is ZTIFNQZVFGOOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-6-10-9-4-2-3-7-11(8)9/h5,9-10H,2-4,6-7H2,1H3.
What are the key properties of 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 139812379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).