1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H21N5O — CID 136731449

IUPAC1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H21N5O/c1-22(15-9-5-7-12-6-3-4-8-13(12)15)11-16-20-17-14(18(24)21-16)10-19-23(17)2/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H,20,21,24)/t15-/m1/s1
InChIKeySGUXPJLBLDXYDT-OAHLLOKOSA-N
MW323.40 g/mol
LogP2.17
Rot. Bonds3

About 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136731449) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136731449
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H21N5O/c1-22(15-9-5-7-12-6-3-4-8-13(12)15)11-16-20-17-14(18(24)21-16)10-19-23(17)2/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H,20,21,24)/t15-/m1/s1
InChIKeySGUXPJLBLDXYDT-OAHLLOKOSA-N
XLogP2.17
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136731449) is 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SGUXPJLBLDXYDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22(15-9-5-7-12-6-3-4-8-13(12)15)11-16-20-17-14(18(24)21-16)10-19-23(17)2/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3,(H,20,21,24)/t15-/m1/s1.
What are the key properties of 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136731449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).