2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

C14H18N6O — CID 10869888

IUPAC2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOCc1nccc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-21-11-12-16-3-2-13(18-12)19-6-8-20(9-7-19)14-10-15-4-5-17-14/h2-5,10H,6-9,11H2,1H3
InChIKeyMRRQNWTUJHFOBB-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.74
Rot. Bonds4

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

2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 10869888) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID10869888
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOCc1nccc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-21-11-12-16-3-2-13(18-12)19-6-8-20(9-7-19)14-10-15-4-5-17-14/h2-5,10H,6-9,11H2,1H3
InChIKeyMRRQNWTUJHFOBB-UHFFFAOYSA-N
XLogP0.74
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (CID 10869888) is 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is COCc1nccc(N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is MRRQNWTUJHFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-21-11-12-16-3-2-13(18-12)19-6-8-20(9-7-19)14-10-15-4-5-17-14/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 286.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10869888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).