pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C13H14N6O — CID 110466942

IUPACpyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncnc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N6O/c20-12(11-8-14-10-15-9-11)18-4-6-19(7-5-18)13-16-2-1-3-17-13/h1-3,8-10H,4-7H2
InChIKeyTZVXXAXFMFTPHK-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.23
Rot. Bonds2

About pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110466942) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110466942
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Namepyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncnc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N6O/c20-12(11-8-14-10-15-9-11)18-4-6-19(7-5-18)13-16-2-1-3-17-13/h1-3,8-10H,4-7H2
InChIKeyTZVXXAXFMFTPHK-UHFFFAOYSA-N
XLogP0.23
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110466942) is pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cncnc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is TZVXXAXFMFTPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c20-12(11-8-14-10-15-9-11)18-4-6-19(7-5-18)13-16-2-1-3-17-13/h1-3,8-10H,4-7H2.
What are the key properties of pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 270.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110466942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).