4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine

C9H10Cl2N2 — CID 22943310

IUPAC4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine
SMILESC=C(C)Cc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C9H10Cl2N2/c1-5(2)4-7-8(10)12-6(3)13-9(7)11/h1,4H2,2-3H3
InChIKeyGBGVXWBHNWDNHA-UHFFFAOYSA-N
MW217.10 g/mol
LogP3.21
Rot. Bonds2

About 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine

4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine (PubChem CID 22943310) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine
PubChem CID22943310
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine
SMILESC=C(C)Cc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C9H10Cl2N2/c1-5(2)4-7-8(10)12-6(3)13-9(7)11/h1,4H2,2-3H3
InChIKeyGBGVXWBHNWDNHA-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine (CID 22943310) is 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine is C=C(C)Cc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine?
The InChIKey is GBGVXWBHNWDNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-5(2)4-7-8(10)12-6(3)13-9(7)11/h1,4H2,2-3H3.
What are the key properties of 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine?
4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine has a molecular weight of 217.10 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-5-(2-methylprop-2-enyl)pyrimidine is sourced from PubChem (CID 22943310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).