5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one

C16H24N4O — CID 131984960

IUPAC5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCn1ncc2c(=O)n(CC3CCCCC3)c(C)nc21
InChIInChI=1S/C16H24N4O/c1-3-9-20-15-14(10-17-20)16(21)19(12(2)18-15)11-13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3
InChIKeyTYMBPQQASYCWEH-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.89
Rot. Bonds4

About 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one

5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 131984960) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID131984960
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCn1ncc2c(=O)n(CC3CCCCC3)c(C)nc21
InChIInChI=1S/C16H24N4O/c1-3-9-20-15-14(10-17-20)16(21)19(12(2)18-15)11-13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3
InChIKeyTYMBPQQASYCWEH-UHFFFAOYSA-N
XLogP2.89
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one (CID 131984960) is 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one is CCCn1ncc2c(=O)n(CC3CCCCC3)c(C)nc21.
What is the InChIKey of 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is TYMBPQQASYCWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-9-20-15-14(10-17-20)16(21)19(12(2)18-15)11-13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one?
5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 288.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-6-methyl-1-propylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 131984960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).