(2-methylpyrimidin-5-yl)chloranium

C5H6ClN2+ — CID 142184118

IUPAC(2-methylpyrimidin-5-yl)chloranium
SMILESCc1ncc([ClH+])cn1
InChIInChI=1S/C5H6ClN2/c1-4-7-2-5(6)3-8-4/h2-3,6H,1H3/q+1
InChIKeyCDBGNQDTCXTUJC-UHFFFAOYSA-N
MW129.57 g/mol
LogP0.48
Rot. Bonds

About (2-methylpyrimidin-5-yl)chloranium

(2-methylpyrimidin-5-yl)chloranium (PubChem CID 142184118) has the molecular formula C5H6ClN2+ and a molecular weight of 129.57 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)chloranium.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)chloranium
PubChem CID142184118
Molecular FormulaC5H6ClN2+
Molecular Weight129.57 g/mol
Exact Mass129.02
IUPAC Name(2-methylpyrimidin-5-yl)chloranium
SMILESCc1ncc([ClH+])cn1
InChIInChI=1S/C5H6ClN2/c1-4-7-2-5(6)3-8-4/h2-3,6H,1H3/q+1
InChIKeyCDBGNQDTCXTUJC-UHFFFAOYSA-N
XLogP0.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.57
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)chloranium?
The IUPAC name of (2-methylpyrimidin-5-yl)chloranium (CID 142184118) is (2-methylpyrimidin-5-yl)chloranium.
What is the SMILES notation for (2-methylpyrimidin-5-yl)chloranium?
The canonical SMILES for (2-methylpyrimidin-5-yl)chloranium is Cc1ncc([ClH+])cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)chloranium?
The InChIKey is CDBGNQDTCXTUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN2/c1-4-7-2-5(6)3-8-4/h2-3,6H,1H3/q+1.
What are the key properties of (2-methylpyrimidin-5-yl)chloranium?
(2-methylpyrimidin-5-yl)chloranium has a molecular weight of 129.57 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl)chloranium is sourced from PubChem (CID 142184118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).