2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

C16H19FN8O — CID 154853609

IUPAC2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(c3nc(C)c(F)c(=O)[nH]3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C16H19FN8O/c1-9-12(17)15(26)22-16(19-9)25-6-4-24(5-7-25)14-11-8-18-23(3)13(11)20-10(2)21-14/h8H,4-7H2,1-3H3,(H,19,22,26)
InChIKeyHAIDBQRDOCGWLR-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.53
Rot. Bonds2

About 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 154853609) has the molecular formula C16H19FN8O and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID154853609
Molecular FormulaC16H19FN8O
Molecular Weight358.38 g/mol
Exact Mass358.17
IUPAC Name2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN(c3nc(C)c(F)c(=O)[nH]3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C16H19FN8O/c1-9-12(17)15(26)22-16(19-9)25-6-4-24(5-7-25)14-11-8-18-23(3)13(11)20-10(2)21-14/h8H,4-7H2,1-3H3,(H,19,22,26)
InChIKeyHAIDBQRDOCGWLR-UHFFFAOYSA-N
XLogP0.53
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 154853609) is 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCN(c3nc(C)c(F)c(=O)[nH]3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HAIDBQRDOCGWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN8O/c1-9-12(17)15(26)22-16(19-9)25-6-4-24(5-7-25)14-11-8-18-23(3)13(11)20-10(2)21-14/h8H,4-7H2,1-3H3,(H,19,22,26).
What are the key properties of 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 358.38 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154853609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).