2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol

C17H15N5O — CID 142341766

IUPAC2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1cnc(-c3ncccn3)nc1)C2
InChIInChI=1S/C17H15N5O/c23-15-3-2-13-11-22(7-4-12(13)8-15)14-9-20-17(21-10-14)16-18-5-1-6-19-16/h1-3,5-6,8-10,23H,4,7,11H2
InChIKeyTXBJOHYEUODNDN-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.20
Rot. Bonds2

About 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol

2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 142341766) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID142341766
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc2c(c1)CCN(c1cnc(-c3ncccn3)nc1)C2
InChIInChI=1S/C17H15N5O/c23-15-3-2-13-11-22(7-4-12(13)8-15)14-9-20-17(21-10-14)16-18-5-1-6-19-16/h1-3,5-6,8-10,23H,4,7,11H2
InChIKeyTXBJOHYEUODNDN-UHFFFAOYSA-N
XLogP2.20
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
4-(2,4-Diaminopteridin-6-yl)benzene-1,2-diol
CID 135750190
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
Phenol, 4-(2,4-diamino-6-pteridinyl)-
CID 135492341
4-(2,4-Diaminopteridin-7-yl)benzene-1,2-diol
CID 135610083
4-(2,4-Diaminopteridin-7-yl)phenol
CID 135610084
4-(4-Aminopteridin-7-yl)benzene-1,2-diol
CID 135610087
4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 764635
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(2,4-Diaminopteridin-7-yl)phenol
CID 17755304
4-(4-Aminopteridin-6-yl)benzene-1,2-diol
CID 135750219
7-(Propyl(2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 52949476

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol (CID 142341766) is 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol is Oc1ccc2c(c1)CCN(c1cnc(-c3ncccn3)nc1)C2.
What is the InChIKey of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is TXBJOHYEUODNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-15-3-2-13-11-22(7-4-12(13)8-15)14-9-20-17(21-10-14)16-18-5-1-6-19-16/h1-3,5-6,8-10,23H,4,7,11H2.
What are the key properties of 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol?
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 305.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 142341766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).