2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline

C17H15N5 — CID 139461226

IUPAC2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1cnc(-c2ncc(N3CCc4ccccc4C3)cn2)nc1
InChIInChI=1S/C17H15N5/c1-2-5-14-12-22(9-6-13(14)4-1)15-10-20-17(21-11-15)16-18-7-3-8-19-16/h1-5,7-8,10-11H,6,9,12H2
InChIKeyPGZAOIZXWAZUQG-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.50
Rot. Bonds2

About 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline

2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 139461226) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID139461226
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1cnc(-c2ncc(N3CCc4ccccc4C3)cn2)nc1
InChIInChI=1S/C17H15N5/c1-2-5-14-12-22(9-6-13(14)4-1)15-10-20-17(21-11-15)16-18-7-3-8-19-16/h1-5,7-8,10-11H,6,9,12H2
InChIKeyPGZAOIZXWAZUQG-UHFFFAOYSA-N
XLogP2.50
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 142341766
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol
CID 83132282
1-methyl-2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 153364917
2-(5-iodopyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 115620482
2-(1-phenylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
CID 110454638
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111170
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-dihydroisoindole
CID 153364920

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline (CID 139461226) is 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline is c1cnc(-c2ncc(N3CCc4ccccc4C3)cn2)nc1.
What is the InChIKey of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is PGZAOIZXWAZUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-2-5-14-12-22(9-6-13(14)4-1)15-10-20-17(21-11-15)16-18-7-3-8-19-16/h1-5,7-8,10-11H,6,9,12H2.
What are the key properties of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline?
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 289.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 139461226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).