2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile

C23H20N8O — CID 59507734

IUPAC2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H20N8O/c24-12-16-10-21(25)27-14-18(16)20-11-22(30-23(29-20)31-5-7-32-8-6-31)28-17-9-15-3-1-2-4-19(15)26-13-17/h1-4,9-11,13-14H,5-8H2,(H2,25,27)(H,28,29,30)
InChIKeyHLWTXVAXGWFIGD-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.12
Rot. Bonds4

About 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile

2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile (PubChem CID 59507734) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile
PubChem CID59507734
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H20N8O/c24-12-16-10-21(25)27-14-18(16)20-11-22(30-23(29-20)31-5-7-32-8-6-31)28-17-9-15-3-1-2-4-19(15)26-13-17/h1-4,9-11,13-14H,5-8H2,(H2,25,27)(H,28,29,30)
InChIKeyHLWTXVAXGWFIGD-UHFFFAOYSA-N
XLogP3.12
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile (CID 59507734) is 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile is N#Cc1cc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile?
The InChIKey is HLWTXVAXGWFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c24-12-16-10-21(25)27-14-18(16)20-11-22(30-23(29-20)31-5-7-32-8-6-31)28-17-9-15-3-1-2-4-19(15)26-13-17/h1-4,9-11,13-14H,5-8H2,(H2,25,27)(H,28,29,30).
What are the key properties of 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile?
2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile has a molecular weight of 424.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 59507734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).