4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol

C21H20N6O — CID 117087556

IUPAC4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESNc1nc(NCCc2ccc(O)cc2)cc(Nc2nccc3ccccc23)n1
InChIInChI=1S/C21H20N6O/c22-21-26-18(23-11-9-14-5-7-16(28)8-6-14)13-19(27-21)25-20-17-4-2-1-3-15(17)10-12-24-20/h1-8,10,12-13,28H,9,11H2,(H4,22,23,24,25,26,27)
InChIKeySVPQLONRDZJMGX-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.71
Rot. Bonds6

About 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117087556) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117087556
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol
SMILESNc1nc(NCCc2ccc(O)cc2)cc(Nc2nccc3ccccc23)n1
InChIInChI=1S/C21H20N6O/c22-21-26-18(23-11-9-14-5-7-16(28)8-6-14)13-19(27-21)25-20-17-4-2-1-3-15(17)10-12-24-20/h1-8,10,12-13,28H,9,11H2,(H4,22,23,24,25,26,27)
InChIKeySVPQLONRDZJMGX-UHFFFAOYSA-N
XLogP3.71
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[[2-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082238
6-N-benzyl-4-N-isoquinolin-1-ylpyrimidine-2,4,6-triamine
CID 117085801
4-[2-[[2-amino-6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117091764
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086266
2-N-isoquinolin-1-yl-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 117083919
N-[2-(4-hydroxyphenyl)ethyl]-2-(isoquinolin-1-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117087850
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
4-N-isoquinolin-1-ylpyrimidine-4,6-diamine
CID 117086445
4-[2-[[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086809
4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082432
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-(1-methylbenzimidazol-2-yl)pyrimidine-2,4,6-triamine
CID 117093415

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol (CID 117087556) is 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol is Nc1nc(NCCc2ccc(O)cc2)cc(Nc2nccc3ccccc23)n1.
What is the InChIKey of 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is SVPQLONRDZJMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-21-26-18(23-11-9-14-5-7-16(28)8-6-14)13-19(27-21)25-20-17-4-2-1-3-15(17)10-12-24-20/h1-8,10,12-13,28H,9,11H2,(H4,22,23,24,25,26,27).
What are the key properties of 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 372.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-6-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117087556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).