4-(2-chloro-3-methylbutyl)-2-methylpyrimidine

C10H15ClN2 — CID 63203137

IUPAC4-(2-chloro-3-methylbutyl)-2-methylpyrimidine
SMILESCc1nccc(CC(Cl)C(C)C)n1
InChIInChI=1S/C10H15ClN2/c1-7(2)10(11)6-9-4-5-12-8(3)13-9/h4-5,7,10H,6H2,1-3H3
InChIKeyBVNGVJRSSOOPHI-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.59
Rot. Bonds3

About 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine

4-(2-chloro-3-methylbutyl)-2-methylpyrimidine (PubChem CID 63203137) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(2-chloro-3-methylbutyl)-2-methylpyrimidine
PubChem CID63203137
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-(2-chloro-3-methylbutyl)-2-methylpyrimidine
SMILESCc1nccc(CC(Cl)C(C)C)n1
InChIInChI=1S/C10H15ClN2/c1-7(2)10(11)6-9-4-5-12-8(3)13-9/h4-5,7,10H,6H2,1-3H3
InChIKeyBVNGVJRSSOOPHI-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-(2-bromo-3,3-dimethylbutyl)-2-methylpyrimidine
CID 63203324
4-(2-bromobutyl)-2-methylpyrimidine
CID 63203331
4-(2-chloroethyl)-2-methylpyrimidine
CID 115529496
2-methyl-4-(3-methylbutyl)pyrimidine
CID 143330492
1-(2-methylpyrimidin-4-yl)-N-propylpropan-2-amine
CID 63200567
1-cyclopropyl-N-ethyl-2-(2-methylpyrimidin-4-yl)ethanamine
CID 63355256
4-(cyclopropylmethyl)-2-methylpyrimidine
CID 123281493
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
CID 129319573
4-(3-chlorobutan-2-yl)-2-methylpyrimidine
CID 63203304
N-methyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 130636866

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine?
The IUPAC name of 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine (CID 63203137) is 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine?
The canonical SMILES for 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine is Cc1nccc(CC(Cl)C(C)C)n1.
What is the InChIKey of 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine?
The InChIKey is BVNGVJRSSOOPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7(2)10(11)6-9-4-5-12-8(3)13-9/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine?
4-(2-chloro-3-methylbutyl)-2-methylpyrimidine has a molecular weight of 198.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methylbutyl)-2-methylpyrimidine is sourced from PubChem (CID 63203137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).