2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

C17H20ClN3 — CID 80979070

IUPAC2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCCCc1nc(Cl)c(C)c(N2CCc3ccccc3C2)n1
InChIInChI=1S/C17H20ClN3/c1-3-6-15-19-16(18)12(2)17(20-15)21-10-9-13-7-4-5-8-14(13)11-21/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyVVZGGZYHOSJUTP-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.95
Rot. Bonds3

About 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 80979070) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID80979070
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCCCc1nc(Cl)c(C)c(N2CCc3ccccc3C2)n1
InChIInChI=1S/C17H20ClN3/c1-3-6-15-19-16(18)12(2)17(20-15)21-10-9-13-7-4-5-8-14(13)11-21/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyVVZGGZYHOSJUTP-UHFFFAOYSA-N
XLogP3.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 80980277
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-5-methoxy-3,4-dihydro-1H-isoquinoline
CID 133450591
7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 80977508
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80971021
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80767136
5-(6-chloro-2,5-dimethylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63734924
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80751574
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80971909
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 63736280
2-(5-chloro-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 86615261
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61252617
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 80979070) is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is CCCc1nc(Cl)c(C)c(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is VVZGGZYHOSJUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-3-6-15-19-16(18)12(2)17(20-15)21-10-9-13-7-4-5-8-14(13)11-21/h4-5,7-8H,3,6,9-11H2,1-2H3.
What are the key properties of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 301.82 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 80979070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).