4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine

C14H15Cl3N4O — CID 157254472

IUPAC4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(Cl)n1.Cc1cc(Cl)nc(OC2CCC2)n1
InChIInChI=1S/C9H11ClN2O.C5H4Cl2N2/c1-6-5-8(10)12-9(11-6)13-7-3-2-4-7;1-3-2-4(6)9-5(7)8-3/h5,7H,2-4H2,1H3;2H,1H3
InChIKeyAWSMZEJDWNMVPR-UHFFFAOYSA-N
MW361.66 g/mol
LogP4.46
Rot. Bonds2

About 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine

4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine (PubChem CID 157254472) has the molecular formula C14H15Cl3N4O and a molecular weight of 361.66 g/mol. Its IUPAC name is 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
PubChem CID157254472
Molecular FormulaC14H15Cl3N4O
Molecular Weight361.66 g/mol
Exact Mass360.03
IUPAC Name4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(Cl)n1.Cc1cc(Cl)nc(OC2CCC2)n1
InChIInChI=1S/C9H11ClN2O.C5H4Cl2N2/c1-6-5-8(10)12-9(11-6)13-7-3-2-4-7;1-3-2-4(6)9-5(7)8-3/h5,7H,2-4H2,1H3;2H,1H3
InChIKeyAWSMZEJDWNMVPR-UHFFFAOYSA-N
XLogP4.46
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.66
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine (CID 157254472) is 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine is Cc1cc(Cl)nc(Cl)n1.Cc1cc(Cl)nc(OC2CCC2)n1.
What is the InChIKey of 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine?
The InChIKey is AWSMZEJDWNMVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.C5H4Cl2N2/c1-6-5-8(10)12-9(11-6)13-7-3-2-4-7;1-3-2-4(6)9-5(7)8-3/h5,7H,2-4H2,1H3;2H,1H3.
What are the key properties of 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine?
4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine has a molecular weight of 361.66 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclobutyloxy-6-methylpyrimidine;2,4-dichloro-6-methylpyrimidine is sourced from PubChem (CID 157254472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).