4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

C13H16N6O — CID 126469840

IUPAC4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(N2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C13H16N6O/c1-20-12-9-11(16-10-17-12)18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,9-10H,5-8H2,1H3
InChIKeyPEEZBAILGSFZFX-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.60
Rot. Bonds3

About 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 126469840) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID126469840
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(N2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C13H16N6O/c1-20-12-9-11(16-10-17-12)18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,9-10H,5-8H2,1H3
InChIKeyPEEZBAILGSFZFX-UHFFFAOYSA-N
XLogP0.60
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (CID 126469840) is 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is COc1cc(N2CCN(c3ncccn3)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is PEEZBAILGSFZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-20-12-9-11(16-10-17-12)18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 272.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 126469840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).