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

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Related Compounds

4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride
CID 71638492
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine;hydrochloride
CID 71638490
2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
CID 107554645
4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
4,6-dimethyl-2-piperidin-3-yloxypyrimidine;hydrochloride
CID 71638406
2-chloro-4,6-dimethylpyrimidine
CID 20550
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
2-chloro-4-cyclohexyloxy-6-ethoxy-1,3,5-triazine
CID 62858018
4-chloro-6-cyclohexyloxy-N-methyl-1,3,5-triazin-2-amine
CID 80858811
N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 114221160
2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride
CID 71638580
5-chloro-2-cyclobutyloxypyrimidine
CID 126953902

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).