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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Related Compounds

[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 67004771
1-[4-[3-[4-(hydroxymethyl)cyclohexyl]-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea
CID 67469991
ethyl 4-[4-[4-(methylcarbamoylamino)phenyl]-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxylate
CID 67470085
methyl N-[4-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate;hydrochloride
CID 67454515
7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 155631479
5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
CID 59198406
4-(4-fluorophenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62907249
bis(4-methylpiperazin-1-yl)methanone;4-[4-[2-(difluoromethyl)-1H-benzimidazol-4-yl]-3-piperidin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine
CID 175099386
4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline
CID 143899780
4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42668905
5-[6-(iodomethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine
CID 89345233
5-[8-methyl-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine
CID 25256167

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).