4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine

C12H19ClN2O — CID 63736397

IUPAC4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OC(C)(C)CC
InChIInChI=1S/C12H19ClN2O/c1-5-7-9-10(13)14-8-15-11(9)16-12(3,4)6-2/h8H,5-7H2,1-4H3
InChIKeyAYZUMIDKVTYGHI-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.65
Rot. Bonds5

About 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine

4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine (PubChem CID 63736397) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine
PubChem CID63736397
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OC(C)(C)CC
InChIInChI=1S/C12H19ClN2O/c1-5-7-9-10(13)14-8-15-11(9)16-12(3,4)6-2/h8H,5-7H2,1-4H3
InChIKeyAYZUMIDKVTYGHI-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine
CID 103283660
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
4-chloro-6-(3-methylbut-3-enoxy)-5-propylpyrimidine
CID 114470129
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine
CID 63728559
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
CID 114248317
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine (CID 63736397) is 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1OC(C)(C)CC.
What is the InChIKey of 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine?
The InChIKey is AYZUMIDKVTYGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-5-7-9-10(13)14-8-15-11(9)16-12(3,4)6-2/h8H,5-7H2,1-4H3.
What are the key properties of 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine?
4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine has a molecular weight of 242.75 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine is sourced from PubChem (CID 63736397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).