4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine

C12H19ClN2O — CID 63733980

IUPAC4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCCC(C)C
InChIInChI=1S/C12H19ClN2O/c1-4-5-10-11(13)14-8-15-12(10)16-7-6-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyCZGCVUWIABUQNP-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.51
Rot. Bonds6

About 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine

4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine (PubChem CID 63733980) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
PubChem CID63733980
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCCC(C)C
InChIInChI=1S/C12H19ClN2O/c1-4-5-10-11(13)14-8-15-12(10)16-7-6-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyCZGCVUWIABUQNP-UHFFFAOYSA-N
XLogP3.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine
CID 103283660
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
CID 80858342
4-chloro-6-(3-methylbut-3-enoxy)-5-propylpyrimidine
CID 114470129
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
4-chloro-5-ethyl-6-pentoxypyrimidine
CID 63735031
4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine
CID 63736397
4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
CID 114248317
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722
4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine
CID 63734887
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
CID 63735543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine (CID 63733980) is 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1OCCC(C)C.
What is the InChIKey of 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine?
The InChIKey is CZGCVUWIABUQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-5-10-11(13)14-8-15-12(10)16-7-6-9(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine?
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine has a molecular weight of 242.75 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine is sourced from PubChem (CID 63733980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).