4-(2-chlorobutyl)-6-propylpyrimidine

C11H17ClN2 — CID 63203080

IUPAC4-(2-chlorobutyl)-6-propylpyrimidine
SMILESCCCc1cc(CC(Cl)CC)ncn1
InChIInChI=1S/C11H17ClN2/c1-3-5-10-7-11(14-8-13-10)6-9(12)4-2/h7-9H,3-6H2,1-2H3
InChIKeyHFBZUSGQWGNWBC-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.99
Rot. Bonds5

About 4-(2-chlorobutyl)-6-propylpyrimidine

4-(2-chlorobutyl)-6-propylpyrimidine (PubChem CID 63203080) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-(2-chlorobutyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-(2-chlorobutyl)-6-propylpyrimidine
PubChem CID63203080
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-(2-chlorobutyl)-6-propylpyrimidine
SMILESCCCc1cc(CC(Cl)CC)ncn1
InChIInChI=1S/C11H17ClN2/c1-3-5-10-7-11(14-8-13-10)6-9(12)4-2/h7-9H,3-6H2,1-2H3
InChIKeyHFBZUSGQWGNWBC-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.99
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

4,6-dihexadecylpyrimidine
CID 91309058
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
N-pent-1-yn-3-yl-6-propylpyrimidin-4-amine
CID 106231185
2-(2-chlorobutyl)-5-methyl-4-nitropyridine
CID 83271579
4-phenyl-6-propylpyrimidine
CID 13153439
N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
CID 63388681
2-(2-chlorobutyl)-4-methyl-5-nitropyridine
CID 79176104
4-(2-chloropropyl)-6-methylpyrimidine
CID 63205078
N-(2-methylcyclopropyl)-6-propylpyrimidin-4-amine
CID 62398962
4-azido-6-propylpyrimidine
CID 80583555

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorobutyl)-6-propylpyrimidine?
The IUPAC name of 4-(2-chlorobutyl)-6-propylpyrimidine (CID 63203080) is 4-(2-chlorobutyl)-6-propylpyrimidine.
What is the SMILES notation for 4-(2-chlorobutyl)-6-propylpyrimidine?
The canonical SMILES for 4-(2-chlorobutyl)-6-propylpyrimidine is CCCc1cc(CC(Cl)CC)ncn1.
What is the InChIKey of 4-(2-chlorobutyl)-6-propylpyrimidine?
The InChIKey is HFBZUSGQWGNWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-3-5-10-7-11(14-8-13-10)6-9(12)4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(2-chlorobutyl)-6-propylpyrimidine?
4-(2-chlorobutyl)-6-propylpyrimidine has a molecular weight of 212.72 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobutyl)-6-propylpyrimidine is sourced from PubChem (CID 63203080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).