5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one

C13H14N4O2 — CID 146290995

IUPAC5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(Oc2ccc3c(c2)CNCC3)nc[nH]c1=O
InChIInChI=1S/C13H14N4O2/c14-11-12(18)16-7-17-13(11)19-10-2-1-8-3-4-15-6-9(8)5-10/h1-2,5,7,15H,3-4,6,14H2,(H,16,17,18)
InChIKeyLHIOZQXBCLJSFU-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.79
Rot. Bonds2

About 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one

5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one (PubChem CID 146290995) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one
PubChem CID146290995
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(Oc2ccc3c(c2)CNCC3)nc[nH]c1=O
InChIInChI=1S/C13H14N4O2/c14-11-12(18)16-7-17-13(11)19-10-2-1-8-3-4-15-6-9(8)5-10/h1-2,5,7,15H,3-4,6,14H2,(H,16,17,18)
InChIKeyLHIOZQXBCLJSFU-UHFFFAOYSA-N
XLogP0.79
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 22543737
5-amino-4-(3-aminophenoxy)-1H-pyrimidin-6-one
CID 114578580
5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
CID 114676337
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one
CID 103241049
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240889
5-amino-4-[4-(2-fluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 156633904
2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 150802088
5-amino-4-(4-pyrrolidin-2-ylphenoxy)-1H-pyrimidin-6-one;hydrochloride
CID 146290938
5-amino-4-(3-phenylmethoxyphenoxy)-1H-pyrimidin-6-one
CID 146290943
5-amino-4-[4-(2,2-difluoroethyl)phenoxy]-1H-pyrimidin-6-one
CID 146290875
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one (CID 146290995) is 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one is Nc1c(Oc2ccc3c(c2)CNCC3)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one?
The InChIKey is LHIOZQXBCLJSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-11-12(18)16-7-17-13(11)19-10-2-1-8-3-4-15-6-9(8)5-10/h1-2,5,7,15H,3-4,6,14H2,(H,16,17,18).
What are the key properties of 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one?
5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one has a molecular weight of 258.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 146290995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).