1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C15H22ClN3 — CID 55231220

IUPAC1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCc1nc(Cl)c(C)c(N2CCCC3CCCCC32)n1
InChIInChI=1S/C15H22ClN3/c1-10-14(16)17-11(2)18-15(10)19-9-5-7-12-6-3-4-8-13(12)19/h12-13H,3-9H2,1-2H3
InChIKeyQGOZRLLPKBLIGQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.91
Rot. Bonds1

About 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 55231220) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID55231220
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCc1nc(Cl)c(C)c(N2CCCC3CCCCC32)n1
InChIInChI=1S/C15H22ClN3/c1-10-14(16)17-11(2)18-15(10)19-9-5-7-12-6-3-4-8-13(12)19/h12-13H,3-9H2,1-2H3
InChIKeyQGOZRLLPKBLIGQ-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

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Related Compounds

CID 80970589
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CID 79557230
CID 79557230
CID 80968439
CID 80968439
CID 80968440
CID 80968440
CID 80969758
CID 80969758
CID 80969759
CID 80969759
CID 106767242
CID 106767242
CID 106768490
CID 106768490
CID 149712769
CID 149712769
CID 55229112
CID 55229112
CID 55229293
CID 55229293

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 55231220) is 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is Cc1nc(Cl)c(C)c(N2CCCC3CCCCC32)n1.
What is the InChIKey of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is QGOZRLLPKBLIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-10-14(16)17-11(2)18-15(10)19-9-5-7-12-6-3-4-8-13(12)19/h12-13H,3-9H2,1-2H3.
What are the key properties of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 279.81 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 55231220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).