5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C15H17N7O — CID 155942593

IUPAC5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
InChIInChI=1S/C15H17N7O/c1-23-15-10-14(16-11-17-15)21-8-6-20(7-9-21)12-3-5-22-13(19-12)2-4-18-22/h2-5,10-11H,6-9H2,1H3
InChIKeyOTOOJLBDEGMRHM-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.85
Rot. Bonds3

About 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155942593) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID155942593
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1
InChIInChI=1S/C15H17N7O/c1-23-15-10-14(16-11-17-15)21-8-6-20(7-9-21)12-3-5-22-13(19-12)2-4-18-22/h2-5,10-11H,6-9H2,1H3
InChIKeyOTOOJLBDEGMRHM-UHFFFAOYSA-N
XLogP0.85
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 155942593) is 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is COc1cc(N2CCN(c3ccn4nccc4n3)CC2)ncn1.
What is the InChIKey of 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is OTOOJLBDEGMRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-23-15-10-14(16-11-17-15)21-8-6-20(7-9-21)12-3-5-22-13(19-12)2-4-18-22/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 311.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155942593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).