2-chloro-4-pyrimidin-5-yl-1,3,5-triazine

C7H4ClN5 — CID 130058306

IUPAC2-chloro-4-pyrimidin-5-yl-1,3,5-triazine
SMILESClc1ncnc(-c2cncnc2)n1
InChIInChI=1S/C7H4ClN5/c8-7-12-4-11-6(13-7)5-1-9-3-10-2-5/h1-4H
InChIKeyOMVGYCRGVLDIOF-UHFFFAOYSA-N
MW193.60 g/mol
LogP0.98
Rot. Bonds1

About 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine

2-chloro-4-pyrimidin-5-yl-1,3,5-triazine (PubChem CID 130058306) has the molecular formula C7H4ClN5 and a molecular weight of 193.60 g/mol. Its IUPAC name is 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-pyrimidin-5-yl-1,3,5-triazine
PubChem CID130058306
Molecular FormulaC7H4ClN5
Molecular Weight193.60 g/mol
Exact Mass193.02
IUPAC Name2-chloro-4-pyrimidin-5-yl-1,3,5-triazine
SMILESClc1ncnc(-c2cncnc2)n1
InChIInChI=1S/C7H4ClN5/c8-7-12-4-11-6(13-7)5-1-9-3-10-2-5/h1-4H
InChIKeyOMVGYCRGVLDIOF-UHFFFAOYSA-N
XLogP0.98
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine (CID 130058306) is 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine is Clc1ncnc(-c2cncnc2)n1.
What is the InChIKey of 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine?
The InChIKey is OMVGYCRGVLDIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN5/c8-7-12-4-11-6(13-7)5-1-9-3-10-2-5/h1-4H.
What are the key properties of 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine?
2-chloro-4-pyrimidin-5-yl-1,3,5-triazine has a molecular weight of 193.60 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrimidin-5-yl-1,3,5-triazine is sourced from PubChem (CID 130058306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).