5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine

C11H15ClN2 — CID 65419793

IUPAC5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine
SMILESCc1nc(C2CC2C)ncc1C(C)Cl
InChIInChI=1S/C11H15ClN2/c1-6-4-9(6)11-13-5-10(7(2)12)8(3)14-11/h5-7,9H,4H2,1-3H3
InChIKeyLXEKQZVNCVPFON-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.21
Rot. Bonds2

About 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine

5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine (PubChem CID 65419793) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine
PubChem CID65419793
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine
SMILESCc1nc(C2CC2C)ncc1C(C)Cl
InChIInChI=1S/C11H15ClN2/c1-6-4-9(6)11-13-5-10(7(2)12)8(3)14-11/h5-7,9H,4H2,1-3H3
InChIKeyLXEKQZVNCVPFON-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine?
The IUPAC name of 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine (CID 65419793) is 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine.
What is the SMILES notation for 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine?
The canonical SMILES for 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine is Cc1nc(C2CC2C)ncc1C(C)Cl.
What is the InChIKey of 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine?
The InChIKey is LXEKQZVNCVPFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-6-4-9(6)11-13-5-10(7(2)12)8(3)14-11/h5-7,9H,4H2,1-3H3.
What are the key properties of 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine?
5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine has a molecular weight of 210.71 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 5-(1-chloroethyl)-4-methyl-2-(2-methylcyclopropyl)pyrimidine is sourced from PubChem (CID 65419793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).