2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine

C8H6Cl2N4 — CID 178078429

IUPAC2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine
SMILESCn1ccc(-c2cc(Cl)nc(Cl)n2)n1
InChIInChI=1S/C8H6Cl2N4/c1-14-3-2-5(13-14)6-4-7(9)12-8(10)11-6/h2-4H,1H3
InChIKeyTWXGPVSQHVNIEC-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.18
Rot. Bonds1

About 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine

2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine (PubChem CID 178078429) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine
PubChem CID178078429
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine
SMILESCn1ccc(-c2cc(Cl)nc(Cl)n2)n1
InChIInChI=1S/C8H6Cl2N4/c1-14-3-2-5(13-14)6-4-7(9)12-8(10)11-6/h2-4H,1H3
InChIKeyTWXGPVSQHVNIEC-UHFFFAOYSA-N
XLogP2.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine (CID 178078429) is 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine is Cn1ccc(-c2cc(Cl)nc(Cl)n2)n1.
What is the InChIKey of 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine?
The InChIKey is TWXGPVSQHVNIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c1-14-3-2-5(13-14)6-4-7(9)12-8(10)11-6/h2-4H,1H3.
What are the key properties of 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine?
2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine has a molecular weight of 229.07 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 178078429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).