7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine

C24H25N7O — CID 163290888

IUPAC7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnc(N)nc4C)cc3n1)CN(C)CC2
InChIInChI=1S/C24H25N7O/c1-14-19(12-26-23(25)28-14)16-4-5-17-11-27-24(29-20(17)8-16)30-21-9-18-13-31(2)7-6-15(18)10-22(21)32-3/h4-5,8-12H,6-7,13H2,1-3H3,(H2,25,26,28)(H,27,29,30)
InChIKeyLLTITIAIEYCBJY-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.72
Rot. Bonds4

About 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine

7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290888) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290888
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnc(N)nc4C)cc3n1)CN(C)CC2
InChIInChI=1S/C24H25N7O/c1-14-19(12-26-23(25)28-14)16-4-5-17-11-27-24(29-20(17)8-16)30-21-9-18-13-31(2)7-6-15(18)10-22(21)32-3/h4-5,8-12H,6-7,13H2,1-3H3,(H2,25,26,28)(H,27,29,30)
InChIKeyLLTITIAIEYCBJY-UHFFFAOYSA-N
XLogP3.72
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (CID 163290888) is 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cnc(N)nc4C)cc3n1)CN(C)CC2.
What is the InChIKey of 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is LLTITIAIEYCBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-14-19(12-26-23(25)28-14)16-4-5-17-11-27-24(29-20(17)8-16)30-21-9-18-13-31(2)7-6-15(18)10-22(21)32-3/h4-5,8-12H,6-7,13H2,1-3H3,(H2,25,26,28)(H,27,29,30).
What are the key properties of 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 427.51 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-4-methylpyrimidin-5-yl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).