6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline

C13H13N3 — CID 23004948

IUPAC6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ncc(-c2ccc3c(c2)CCCN3)cn1
InChIInChI=1S/C13H13N3/c1-2-11-6-10(3-4-13(11)16-5-1)12-7-14-9-15-8-12/h3-4,6-9,16H,1-2,5H2
InChIKeyAOKSJOAKTHHECP-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.50
Rot. Bonds1

About 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline

6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 23004948) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
PubChem CID23004948
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ncc(-c2ccc3c(c2)CCCN3)cn1
InChIInChI=1S/C13H13N3/c1-2-11-6-10(3-4-13(11)16-5-1)12-7-14-9-15-8-12/h3-4,6-9,16H,1-2,5H2
InChIKeyAOKSJOAKTHHECP-UHFFFAOYSA-N
XLogP2.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 63950356
6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline
CID 23004941
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
5-(1,2,3,4-tetrahydroquinolin-6-yl)isoquinoline
CID 62812285
2-[4-(1,2,3,4-tetrahydroquinolin-6-yl)phenyl]acetic acid
CID 39226276
6-(3-methylimidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 114793362
2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazole
CID 20983466

Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline (CID 23004948) is 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline is c1ncc(-c2ccc3c(c2)CCCN3)cn1.
What is the InChIKey of 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is AOKSJOAKTHHECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-11-6-10(3-4-13(11)16-5-1)12-7-14-9-15-8-12/h3-4,6-9,16H,1-2,5H2.
What are the key properties of 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline?
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 211.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 23004948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).