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

C9H10Cl2N4 — CID 163546014

IUPAC4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine
SMILESCc1ccn(C2(C)N=C(Cl)C=C(Cl)N2)n1
InChIInChI=1S/C9H10Cl2N4/c1-6-3-4-15(14-6)9(2)12-7(10)5-8(11)13-9/h3-5,12H,1-2H3
InChIKeyFFBWKRAXQJLBFV-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.14
Rot. Bonds1

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

4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine (PubChem CID 163546014) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine
PubChem CID163546014
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC Name4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine
SMILESCc1ccn(C2(C)N=C(Cl)C=C(Cl)N2)n1
InChIInChI=1S/C9H10Cl2N4/c1-6-3-4-15(14-6)9(2)12-7(10)5-8(11)13-9/h3-5,12H,1-2H3
InChIKeyFFBWKRAXQJLBFV-UHFFFAOYSA-N
XLogP2.14
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine?
The IUPAC name of 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine (CID 163546014) is 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine?
The canonical SMILES for 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine is Cc1ccn(C2(C)N=C(Cl)C=C(Cl)N2)n1.
What is the InChIKey of 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine?
The InChIKey is FFBWKRAXQJLBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c1-6-3-4-15(14-6)9(2)12-7(10)5-8(11)13-9/h3-5,12H,1-2H3.
What are the key properties of 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine?
4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine has a molecular weight of 245.11 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-2-(3-methylpyrazol-1-yl)-1H-pyrimidine is sourced from PubChem (CID 163546014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).