4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine

C16H15ClN6O — CID 95143537

IUPAC4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine
SMILESCc1nnc([C@H]2Cc3ccccc3CN2c2cc(Cl)nc(N)n2)o1
InChIInChI=1S/C16H15ClN6O/c1-9-21-22-15(24-9)12-6-10-4-2-3-5-11(10)8-23(12)14-7-13(17)19-16(18)20-14/h2-5,7,12H,6,8H2,1H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyZWAISOIHUSGZBN-GFCCVEGCSA-N
MW342.79 g/mol
LogP2.71
Rot. Bonds2

About 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine

4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine (PubChem CID 95143537) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine
PubChem CID95143537
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine
SMILESCc1nnc([C@H]2Cc3ccccc3CN2c2cc(Cl)nc(N)n2)o1
InChIInChI=1S/C16H15ClN6O/c1-9-21-22-15(24-9)12-6-10-4-2-3-5-11(10)8-23(12)14-7-13(17)19-16(18)20-14/h2-5,7,12H,6,8H2,1H3,(H2,18,19,20)/t12-/m1/s1
InChIKeyZWAISOIHUSGZBN-GFCCVEGCSA-N
XLogP2.71
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine (CID 95143537) is 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine is Cc1nnc([C@H]2Cc3ccccc3CN2c2cc(Cl)nc(N)n2)o1.
What is the InChIKey of 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine?
The InChIKey is ZWAISOIHUSGZBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-9-21-22-15(24-9)12-6-10-4-2-3-5-11(10)8-23(12)14-7-13(17)19-16(18)20-14/h2-5,7,12H,6,8H2,1H3,(H2,18,19,20)/t12-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine?
4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine has a molecular weight of 342.79 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95143537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).