2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

C18H24N6O2 — CID 119061228

IUPAC2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOCc1nc(C2CCOC2)cc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-25-13-16-21-15(14-2-9-26-12-14)10-17(22-16)23-5-7-24(8-6-23)18-11-19-3-4-20-18/h3-4,10-11,14H,2,5-9,12-13H2,1H3
InChIKeyPRABXSZHDYPKAE-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.24
Rot. Bonds5

About 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 119061228) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID119061228
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOCc1nc(C2CCOC2)cc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-25-13-16-21-15(14-2-9-26-12-14)10-17(22-16)23-5-7-24(8-6-23)18-11-19-3-4-20-18/h3-4,10-11,14H,2,5-9,12-13H2,1H3
InChIKeyPRABXSZHDYPKAE-UHFFFAOYSA-N
XLogP1.24
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (CID 119061228) is 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is COCc1nc(C2CCOC2)cc(N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is PRABXSZHDYPKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-25-13-16-21-15(14-2-9-26-12-14)10-17(22-16)23-5-7-24(8-6-23)18-11-19-3-4-20-18/h3-4,10-11,14H,2,5-9,12-13H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 356.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 119061228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).