6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H21N5O — CID 136706970

IUPAC6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](C1CC1)N(Cc1nc2c(cnn2C)c(=O)[nH]1)C1CC1
InChIInChI=1S/C15H21N5O/c1-9(10-3-4-10)20(11-5-6-11)8-13-17-14-12(15(21)18-13)7-16-19(14)2/h7,9-11H,3-6,8H2,1-2H3,(H,17,18,21)/t9-/m1/s1
InChIKeyMAPWGHMZHDKFAG-SECBINFHSA-N
MW287.37 g/mol
LogP1.42
Rot. Bonds5

About 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136706970) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136706970
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](C1CC1)N(Cc1nc2c(cnn2C)c(=O)[nH]1)C1CC1
InChIInChI=1S/C15H21N5O/c1-9(10-3-4-10)20(11-5-6-11)8-13-17-14-12(15(21)18-13)7-16-19(14)2/h7,9-11H,3-6,8H2,1-2H3,(H,17,18,21)/t9-/m1/s1
InChIKeyMAPWGHMZHDKFAG-SECBINFHSA-N
XLogP1.42
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136706970) is 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](C1CC1)N(Cc1nc2c(cnn2C)c(=O)[nH]1)C1CC1.
What is the InChIKey of 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MAPWGHMZHDKFAG-SECBINFHSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(10-3-4-10)20(11-5-6-11)8-13-17-14-12(15(21)18-13)7-16-19(14)2/h7,9-11H,3-6,8H2,1-2H3,(H,17,18,21)/t9-/m1/s1.
What are the key properties of 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 287.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136706970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).