1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H24N6O2 — CID 137264504

IUPAC1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN1CCOC(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1
InChIInChI=1S/C15H24N6O2/c1-15(2,3)21-12-11(8-17-21)13(22)19-14(18-12)16-7-10-9-20(4)5-6-23-10/h8,10H,5-7,9H2,1-4H3,(H2,16,18,19,22)
InChIKeyUOWMBBPRYDWZMU-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.62
Rot. Bonds3

About 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137264504) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137264504
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN1CCOC(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1
InChIInChI=1S/C15H24N6O2/c1-15(2,3)21-12-11(8-17-21)13(22)19-14(18-12)16-7-10-9-20(4)5-6-23-10/h8,10H,5-7,9H2,1-4H3,(H2,16,18,19,22)
InChIKeyUOWMBBPRYDWZMU-UHFFFAOYSA-N
XLogP0.62
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264589
1-tert-butyl-6-(3-cyclohexylpropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261091
6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]-1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261425
1-tert-butyl-6-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264528
1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136681321
1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275173
1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260949
N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 137260856
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-[(1-methoxycyclobutyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273788
1-tert-butyl-6-[(1-propan-2-ylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260834
4-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 137061318

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137264504) is 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN1CCOC(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1.
What is the InChIKey of 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UOWMBBPRYDWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-15(2,3)21-12-11(8-17-21)13(22)19-14(18-12)16-7-10-9-20(4)5-6-23-10/h8,10H,5-7,9H2,1-4H3,(H2,16,18,19,22).
What are the key properties of 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 320.40 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137264504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).