4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine

C10H15ClN2O — CID 66320386

IUPAC4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine
SMILESCOc1cc(CC(Cl)C(C)C)ncn1
InChIInChI=1S/C10H15ClN2O/c1-7(2)9(11)4-8-5-10(14-3)13-6-12-8/h5-7,9H,4H2,1-3H3
InChIKeyLUUAOIYXIDMFTN-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.29
Rot. Bonds4

About 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine

4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine (PubChem CID 66320386) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine
PubChem CID66320386
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine
SMILESCOc1cc(CC(Cl)C(C)C)ncn1
InChIInChI=1S/C10H15ClN2O/c1-7(2)9(11)4-8-5-10(14-3)13-6-12-8/h5-7,9H,4H2,1-3H3
InChIKeyLUUAOIYXIDMFTN-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine?
The IUPAC name of 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine (CID 66320386) is 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine?
The canonical SMILES for 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine is COc1cc(CC(Cl)C(C)C)ncn1.
What is the InChIKey of 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine?
The InChIKey is LUUAOIYXIDMFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(2)9(11)4-8-5-10(14-3)13-6-12-8/h5-7,9H,4H2,1-3H3.
What are the key properties of 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine?
4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine has a molecular weight of 214.70 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methylbutyl)-6-methoxypyrimidine is sourced from PubChem (CID 66320386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).