2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine

C16H22N6O2 — CID 167897148

IUPAC2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine
SMILESCOc1ccnc(N2CCN(c3cncc(OC(C)C)n3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-12(2)24-15-11-17-10-13(19-15)21-6-8-22(9-7-21)16-18-5-4-14(20-16)23-3/h4-5,10-12H,6-9H2,1-3H3
InChIKeyNPVOCODPUCROOO-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.39
Rot. Bonds5

About 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine (PubChem CID 167897148) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine
PubChem CID167897148
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine
SMILESCOc1ccnc(N2CCN(c3cncc(OC(C)C)n3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-12(2)24-15-11-17-10-13(19-15)21-6-8-22(9-7-21)16-18-5-4-14(20-16)23-3/h4-5,10-12H,6-9H2,1-3H3
InChIKeyNPVOCODPUCROOO-UHFFFAOYSA-N
XLogP1.39
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine (CID 167897148) is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine is COc1ccnc(N2CCN(c3cncc(OC(C)C)n3)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine?
The InChIKey is NPVOCODPUCROOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-12(2)24-15-11-17-10-13(19-15)21-6-8-22(9-7-21)16-18-5-4-14(20-16)23-3/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine?
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine has a molecular weight of 330.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine is sourced from PubChem (CID 167897148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).