2-pyrimidin-2-yl-1,3,5-triazine

C7H5N5 — CID 57112372

IUPAC2-pyrimidin-2-yl-1,3,5-triazine
SMILESc1cnc(-c2ncncn2)nc1
InChIInChI=1S/C7H5N5/c1-2-9-6(10-3-1)7-11-4-8-5-12-7/h1-5H
InChIKeyVCAFJABMZSHPRM-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.33
Rot. Bonds1

About 2-pyrimidin-2-yl-1,3,5-triazine

2-pyrimidin-2-yl-1,3,5-triazine (PubChem CID 57112372) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-pyrimidin-2-yl-1,3,5-triazine
PubChem CID57112372
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name2-pyrimidin-2-yl-1,3,5-triazine
SMILESc1cnc(-c2ncncn2)nc1
InChIInChI=1S/C7H5N5/c1-2-9-6(10-3-1)7-11-4-8-5-12-7/h1-5H
InChIKeyVCAFJABMZSHPRM-UHFFFAOYSA-N
XLogP0.33
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-1,3,5-triazine?
The IUPAC name of 2-pyrimidin-2-yl-1,3,5-triazine (CID 57112372) is 2-pyrimidin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-pyrimidin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-pyrimidin-2-yl-1,3,5-triazine is c1cnc(-c2ncncn2)nc1.
What is the InChIKey of 2-pyrimidin-2-yl-1,3,5-triazine?
The InChIKey is VCAFJABMZSHPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c1-2-9-6(10-3-1)7-11-4-8-5-12-7/h1-5H.
What are the key properties of 2-pyrimidin-2-yl-1,3,5-triazine?
2-pyrimidin-2-yl-1,3,5-triazine has a molecular weight of 159.15 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-1,3,5-triazine is sourced from PubChem (CID 57112372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).