6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C13H19N5O — CID 135993684

IUPAC6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NC3CCCCCC3)nc21
InChIInChI=1S/C13H19N5O/c1-18-11-10(8-14-18)12(19)17-13(16-11)15-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,15,16,17,19)
InChIKeyQNAIPFGIVWROQT-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.79
Rot. Bonds2

About 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135993684) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135993684
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NC3CCCCCC3)nc21
InChIInChI=1S/C13H19N5O/c1-18-11-10(8-14-18)12(19)17-13(16-11)15-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,15,16,17,19)
InChIKeyQNAIPFGIVWROQT-UHFFFAOYSA-N
XLogP1.79
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135993684) is 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(NC3CCCCCC3)nc21.
What is the InChIKey of 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QNAIPFGIVWROQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-11-10(8-14-18)12(19)17-13(16-11)15-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,15,16,17,19).
What are the key properties of 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 261.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135993684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).