2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C8H7Cl2N5 — CID 11402272

IUPAC2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)ncc2Cl)n[nH]1
InChIInChI=1S/C8H7Cl2N5/c1-4-2-6(15-14-4)12-7-5(9)3-11-8(10)13-7/h2-3H,1H3,(H2,11,12,13,14,15)
InChIKeyQXEYORGOYODCOD-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.56
Rot. Bonds2

About 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 11402272) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID11402272
Molecular FormulaC8H7Cl2N5
Molecular Weight244.09 g/mol
Exact Mass243.01
IUPAC Name2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)ncc2Cl)n[nH]1
InChIInChI=1S/C8H7Cl2N5/c1-4-2-6(15-14-4)12-7-5(9)3-11-8(10)13-7/h2-3H,1H3,(H2,11,12,13,14,15)
InChIKeyQXEYORGOYODCOD-UHFFFAOYSA-N
XLogP2.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 11402272) is 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2nc(Cl)ncc2Cl)n[nH]1.
What is the InChIKey of 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is QXEYORGOYODCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c1-4-2-6(15-14-4)12-7-5(9)3-11-8(10)13-7/h2-3H,1H3,(H2,11,12,13,14,15).
What are the key properties of 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 244.09 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 11402272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).