7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine

C22H24N8O2 — CID 67458073

IUPAC7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine
SMILESNc1ncc2ccc(-c3nc(N4CCOCC4)nc4n[nH]c(C5CCOCC5)c34)cc2n1
InChIInChI=1S/C22H24N8O2/c23-21-24-12-15-2-1-14(11-16(15)25-21)18-17-19(13-3-7-31-8-4-13)28-29-20(17)27-22(26-18)30-5-9-32-10-6-30/h1-2,11-13H,3-10H2,(H2,23,24,25)(H,26,27,28,29)
InChIKeyJTPVOPQTQHFPLO-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.28
Rot. Bonds3

About 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine

7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine (PubChem CID 67458073) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine
PubChem CID67458073
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine
SMILESNc1ncc2ccc(-c3nc(N4CCOCC4)nc4n[nH]c(C5CCOCC5)c34)cc2n1
InChIInChI=1S/C22H24N8O2/c23-21-24-12-15-2-1-14(11-16(15)25-21)18-17-19(13-3-7-31-8-4-13)28-29-20(17)27-22(26-18)30-5-9-32-10-6-30/h1-2,11-13H,3-10H2,(H2,23,24,25)(H,26,27,28,29)
InChIKeyJTPVOPQTQHFPLO-UHFFFAOYSA-N
XLogP2.28
TPSA127.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine?
The IUPAC name of 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine (CID 67458073) is 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine.
What is the SMILES notation for 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine?
The canonical SMILES for 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine is Nc1ncc2ccc(-c3nc(N4CCOCC4)nc4n[nH]c(C5CCOCC5)c34)cc2n1.
What is the InChIKey of 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine?
The InChIKey is JTPVOPQTQHFPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c23-21-24-12-15-2-1-14(11-16(15)25-21)18-17-19(13-3-7-31-8-4-13)28-29-20(17)27-22(26-18)30-5-9-32-10-6-30/h1-2,11-13H,3-10H2,(H2,23,24,25)(H,26,27,28,29).
What are the key properties of 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine?
7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine has a molecular weight of 432.49 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine is sourced from PubChem (CID 67458073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).