6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H16ClN5O — CID 136969901

IUPAC6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1ncc2c(=O)[nH]c(NCc3ccccc3Cl)nc21
InChIInChI=1S/C15H16ClN5O/c1-9(2)21-13-11(8-18-21)14(22)20-15(19-13)17-7-10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H2,17,19,20,22)
InChIKeyREUNZJOGTFLBJN-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.97
Rot. Bonds4

About 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969901) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969901
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1ncc2c(=O)[nH]c(NCc3ccccc3Cl)nc21
InChIInChI=1S/C15H16ClN5O/c1-9(2)21-13-11(8-18-21)14(22)20-15(19-13)17-7-10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H2,17,19,20,22)
InChIKeyREUNZJOGTFLBJN-UHFFFAOYSA-N
XLogP2.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969901) is 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)n1ncc2c(=O)[nH]c(NCc3ccccc3Cl)nc21.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is REUNZJOGTFLBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-9(2)21-13-11(8-18-21)14(22)20-15(19-13)17-7-10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H2,17,19,20,22).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 317.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).