1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C12H17N5O2 — CID 136731455

IUPAC1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[nH]2)CCO1
InChIInChI=1S/C12H17N5O2/c1-8-6-17(3-4-19-8)7-10-14-11-9(12(18)15-10)5-13-16(11)2/h5,8H,3-4,6-7H2,1-2H3,(H,14,15,18)/t8-/m1/s1
InChIKeyZIAGXSIXCAKCGL-MRVPVSSYSA-N
MW263.30 g/mol
LogP-0.12
Rot. Bonds2

About 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136731455) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136731455
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[nH]2)CCO1
InChIInChI=1S/C12H17N5O2/c1-8-6-17(3-4-19-8)7-10-14-11-9(12(18)15-10)5-13-16(11)2/h5,8H,3-4,6-7H2,1-2H3,(H,14,15,18)/t8-/m1/s1
InChIKeyZIAGXSIXCAKCGL-MRVPVSSYSA-N
XLogP-0.12
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965609
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine
CID 63220328
1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137252345
6-[[3-(3,4-difluorophenyl)piperidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167904217
(3R)-N-(cyclopropylmethyl)-1-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide
CID 136706993
6-[[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820821
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-1,4-oxazepane
CID 63220480
6-[[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137303365
1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137262542
1-methyl-6-[[3-(pyridine-2-carbonyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663726
6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965547
1-methyl-6-[(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154571556

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136731455) is 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[nH]2)CCO1.
What is the InChIKey of 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZIAGXSIXCAKCGL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-6-17(3-4-19-8)7-10-14-11-9(12(18)15-10)5-13-16(11)2/h5,8H,3-4,6-7H2,1-2H3,(H,14,15,18)/t8-/m1/s1.
What are the key properties of 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 263.30 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136731455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).