[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C20H25N7O — CID 131918115

IUPAC[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2nc(C)c(C(=O)N3CCN(c4ncnc(C)c4C)CC3)c2n1
InChIInChI=1S/C20H25N7O/c1-12-10-13(2)27-19(23-12)17(16(5)24-27)20(28)26-8-6-25(7-9-26)18-14(3)15(4)21-11-22-18/h10-11H,6-9H2,1-5H3
InChIKeyRLESWBCOOHMLSJ-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.02
Rot. Bonds2

About [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 131918115) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID131918115
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2nc(C)c(C(=O)N3CCN(c4ncnc(C)c4C)CC3)c2n1
InChIInChI=1S/C20H25N7O/c1-12-10-13(2)27-19(23-12)17(16(5)24-27)20(28)26-8-6-25(7-9-26)18-14(3)15(4)21-11-22-18/h10-11H,6-9H2,1-5H3
InChIKeyRLESWBCOOHMLSJ-UHFFFAOYSA-N
XLogP2.02
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 131918115) is [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1cc(C)n2nc(C)c(C(=O)N3CCN(c4ncnc(C)c4C)CC3)c2n1.
What is the InChIKey of [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is RLESWBCOOHMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-12-10-13(2)27-19(23-12)17(16(5)24-27)20(28)26-8-6-25(7-9-26)18-14(3)15(4)21-11-22-18/h10-11H,6-9H2,1-5H3.
What are the key properties of [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 379.47 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 131918115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).