4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine

C14H16ClN3O — CID 80973302

IUPAC4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cccnc2C)n1
InChIInChI=1S/C14H16ClN3O/c1-4-6-12-17-13(15)9(2)14(18-12)19-11-7-5-8-16-10(11)3/h5,7-8H,4,6H2,1-3H3
InChIKeyXJGJITAOHOZZAO-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine

4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine (PubChem CID 80973302) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
PubChem CID80973302
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cccnc2C)n1
InChIInChI=1S/C14H16ClN3O/c1-4-6-12-17-13(15)9(2)14(18-12)19-11-7-5-8-16-10(11)3/h5,7-8H,4,6H2,1-3H3
InChIKeyXJGJITAOHOZZAO-UHFFFAOYSA-N
XLogP3.89
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 80974467
N-ethyl-2,5-dimethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882702
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
CID 81346219
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
CID 81342497
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 81332421
6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
CID 81230739
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine (CID 80973302) is 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(Oc2cccnc2C)n1.
What is the InChIKey of 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine?
The InChIKey is XJGJITAOHOZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-4-6-12-17-13(15)9(2)14(18-12)19-11-7-5-8-16-10(11)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine?
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine has a molecular weight of 277.75 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine is sourced from PubChem (CID 80973302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).