N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

C22H22N8O — CID 59507919

IUPACN-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESCc1nc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H22N8O/c1-14-17(13-25-21(23)26-14)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-16-10-15-4-2-3-5-18(15)24-12-16/h2-5,10-13H,6-9H2,1H3,(H2,23,25,26)(H,27,28,29)
InChIKeyXRPFZLXKAPBQOJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.95
Rot. Bonds4

About N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (PubChem CID 59507919) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
PubChem CID59507919
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC NameN-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESCc1nc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H22N8O/c1-14-17(13-25-21(23)26-14)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-16-10-15-4-2-3-5-18(15)24-12-16/h2-5,10-13H,6-9H2,1H3,(H2,23,25,26)(H,27,28,29)
InChIKeyXRPFZLXKAPBQOJ-UHFFFAOYSA-N
XLogP2.95
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (CID 59507919) is N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is Cc1nc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The InChIKey is XRPFZLXKAPBQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-14-17(13-25-21(23)26-14)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-16-10-15-4-2-3-5-18(15)24-12-16/h2-5,10-13H,6-9H2,1H3,(H2,23,25,26)(H,27,28,29).
What are the key properties of N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine has a molecular weight of 414.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 59507919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).