3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine

C17H28N2 — CID 123444144

IUPAC3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCCC(C)CCC(C)C1=CN2CCC=CC2=NC1
InChIInChI=1S/C17H28N2/c1-4-7-14(2)9-10-15(3)16-12-18-17-8-5-6-11-19(17)13-16/h5,8,13-15H,4,6-7,9-12H2,1-3H3
InChIKeyWHLCDPFIXCMIOU-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.40
Rot. Bonds6

About 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine

3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 123444144) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID123444144
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCCC(C)CCC(C)C1=CN2CCC=CC2=NC1
InChIInChI=1S/C17H28N2/c1-4-7-14(2)9-10-15(3)16-12-18-17-8-5-6-11-19(17)13-16/h5,8,13-15H,4,6-7,9-12H2,1-3H3
InChIKeyWHLCDPFIXCMIOU-UHFFFAOYSA-N
XLogP4.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylpentan-2-yl)-N-methyl-N'-[2-methyl-1-(4-methylcyclohexen-1-yl)propyl]ethanimidamide
CID 68029836
(Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide
CID 123415562
2-(4,6-dipentylcyclohex-2-en-1-yl)-1,4,6-trimethyl-2H-1,3,5-triazine
CID 126728315
4-ethenyl-2-methyl-3-(3-methylbutyl)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine
CID 144396222
N-(3-ethyl-3,6-dimethylheptyl)-N-methyl-N'-[(Z)-8-methyl-2-methylidenenon-6-enyl]ethanimidamide
CID 173997517

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine (CID 123444144) is 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine is CCCC(C)CCC(C)C1=CN2CCC=CC2=NC1.
What is the InChIKey of 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is WHLCDPFIXCMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-7-14(2)9-10-15(3)16-12-18-17-8-5-6-11-19(17)13-16/h5,8,13-15H,4,6-7,9-12H2,1-3H3.
What are the key properties of 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine?
3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 260.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 123444144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).