2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine

C10H15ClN2 — CID 116893669

IUPAC2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
SMILESCc1cc(CC(C)C)nc(CCl)n1
InChIInChI=1S/C10H15ClN2/c1-7(2)4-9-5-8(3)12-10(6-11)13-9/h5,7H,4,6H2,1-3H3
InChIKeyVHVMSNQCGZRMCJ-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.72
Rot. Bonds3

About 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine

2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine (PubChem CID 116893669) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
PubChem CID116893669
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
SMILESCc1cc(CC(C)C)nc(CCl)n1
InChIInChI=1S/C10H15ClN2/c1-7(2)4-9-5-8(3)12-10(6-11)13-9/h5,7H,4,6H2,1-3H3
InChIKeyVHVMSNQCGZRMCJ-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
CID 79421610
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597
1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
CID 116895408
4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
CID 116893542
2-(chloromethyl)-4-fluoro-6-methylpyrimidine
CID 155921169
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
2,4-diethyl-6-methylpyrimidine
CID 45080276
1-[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]propan-2-amine
CID 79088372
2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 116893701
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
CID 57437203
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893625

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine (CID 116893669) is 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine is Cc1cc(CC(C)C)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine?
The InChIKey is VHVMSNQCGZRMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7(2)4-9-5-8(3)12-10(6-11)13-9/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine?
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine has a molecular weight of 198.70 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 116893669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).