1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H30N6O2 — CID 137261099

IUPAC1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(C(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)N2CCOCC2)c1
InChIInChI=1S/C22H30N6O2/c1-15-6-5-7-16(12-15)18(27-8-10-30-11-9-27)14-23-21-25-19-17(20(29)26-21)13-24-28(19)22(2,3)4/h5-7,12-13,18H,8-11,14H2,1-4H3,(H2,23,25,26,29)
InChIKeyOYYDLKCQSWZFIS-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.67
Rot. Bonds5

About 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137261099) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137261099
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(C(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)N2CCOCC2)c1
InChIInChI=1S/C22H30N6O2/c1-15-6-5-7-16(12-15)18(27-8-10-30-11-9-27)14-23-21-25-19-17(20(29)26-21)13-24-28(19)22(2,3)4/h5-7,12-13,18H,8-11,14H2,1-4H3,(H2,23,25,26,29)
InChIKeyOYYDLKCQSWZFIS-UHFFFAOYSA-N
XLogP2.67
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260781
1-tert-butyl-6-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260732
1-tert-butyl-6-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258216
1-tert-butyl-6-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137249009
1-tert-butyl-6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261300
6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxylic acid
CID 122047741
1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261684
1-tert-butyl-6-(1,2-diphenylethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269837
1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264504
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
1-tert-butyl-6-[(2,2-difluoro-2-phenylethyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167780240
1-tert-butyl-6-[(4-hydroxy-1-phenylbutyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137249045

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137261099) is 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(C(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)N2CCOCC2)c1.
What is the InChIKey of 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OYYDLKCQSWZFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-15-6-5-7-16(12-15)18(27-8-10-30-11-9-27)14-23-21-25-19-17(20(29)26-21)13-24-28(19)22(2,3)4/h5-7,12-13,18H,8-11,14H2,1-4H3,(H2,23,25,26,29).
What are the key properties of 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 410.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137261099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).