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

C17H18N6O — CID 124575977

IUPAC2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1nnc([C@@H]2Cc3ccccc3CN2Cc2nccc(N)n2)o1
InChIInChI=1S/C17H18N6O/c1-11-21-22-17(24-11)14-8-12-4-2-3-5-13(12)9-23(14)10-16-19-7-6-15(18)20-16/h2-7,14H,8-10H2,1H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyBHQKMVMPAAGQHJ-AWEZNQCLSA-N
MW322.37 g/mol
LogP2.05
Rot. Bonds3

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

2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 124575977) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine
PubChem CID124575977
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1nnc([C@@H]2Cc3ccccc3CN2Cc2nccc(N)n2)o1
InChIInChI=1S/C17H18N6O/c1-11-21-22-17(24-11)14-8-12-4-2-3-5-13(12)9-23(14)10-16-19-7-6-15(18)20-16/h2-7,14H,8-10H2,1H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyBHQKMVMPAAGQHJ-AWEZNQCLSA-N
XLogP2.05
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-benzoxazole
CID 51085966
2-methyl-5-[2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3,4-oxadiazole
CID 51085957
2-[2-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 126787316
2-[(3S)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 96997094
2-[(3S)-2-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 129403045
2-methyl-5-[(3S)-2-[2-(4-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-1,3,4-oxadiazole
CID 52538083
2-[2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 87011107
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
3-[2-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]benzonitrile
CID 52537876
N-[[2-(methoxymethyl)phenyl]methyl]-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 112842803
2-[(3R)-2-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 52538369
2-[(3S)-2-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-ethyl-1,3,4-oxadiazole
CID 52537868

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine (CID 124575977) is 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine is Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2nccc(N)n2)o1.
What is the InChIKey of 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is BHQKMVMPAAGQHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11-21-22-17(24-11)14-8-12-4-2-3-5-13(12)9-23(14)10-16-19-7-6-15(18)20-16/h2-7,14H,8-10H2,1H3,(H2,18,19,20)/t14-/m0/s1.
What are the key properties of 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine?
2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 322.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 124575977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).