1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one

C15H23N5O2 — CID 56725995

IUPAC1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)n(C(C)C)c(NCC3CCCO3)nc12
InChIInChI=1S/C15H23N5O2/c1-9(2)20-14(21)13-12(10(3)18-19(13)4)17-15(20)16-8-11-6-5-7-22-11/h9,11H,5-8H2,1-4H3,(H,16,17)
InChIKeyWNFXFTCWOKMILU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.61
Rot. Bonds4

About 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one

1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 56725995) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID56725995
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)n(C(C)C)c(NCC3CCCO3)nc12
InChIInChI=1S/C15H23N5O2/c1-9(2)20-14(21)13-12(10(3)18-19(13)4)17-15(20)16-8-11-6-5-7-22-11/h9,11H,5-8H2,1-4H3,(H,16,17)
InChIKeyWNFXFTCWOKMILU-UHFFFAOYSA-N
XLogP1.61
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one with MolForge

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Related Compounds

1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 43554263
3-methyl-4-nitro-N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazol-5-amine
CID 66028676
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[[(2R)-oxolan-2-yl]methylamino]purine-2,6-dione
CID 1077752
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124575654
N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46990297
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine
CID 47292449
N-(oxolan-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63104701
9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
CID 137288300

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one (CID 56725995) is 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one is Cc1nn(C)c2c(=O)n(C(C)C)c(NCC3CCCO3)nc12.
What is the InChIKey of 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is WNFXFTCWOKMILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-9(2)20-14(21)13-12(10(3)18-19(13)4)17-15(20)16-8-11-6-5-7-22-11/h9,11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one?
1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 305.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 56725995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).