4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine

C13H17ClN4O — CID 81346219

IUPAC4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cc(C)nn2C)n1
InChIInChI=1S/C13H17ClN4O/c1-5-6-10-15-12(14)9(3)13(16-10)19-11-7-8(2)17-18(11)4/h7H,5-6H2,1-4H3
InChIKeyHXJLPWRWQZFCFF-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.23
Rot. Bonds4

About 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine

4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine (PubChem CID 81346219) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
PubChem CID81346219
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2cc(C)nn2C)n1
InChIInChI=1S/C13H17ClN4O/c1-5-6-10-15-12(14)9(3)13(16-10)19-11-7-8(2)17-18(11)4/h7H,5-6H2,1-4H3
InChIKeyHXJLPWRWQZFCFF-UHFFFAOYSA-N
XLogP3.23
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,5-dimethylpyrazol-3-yl)oxy-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 81333787
4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
CID 81342497
4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 81332421
6-(2,5-dimethylpyrazol-3-yl)oxy-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 81346792
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178
4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920
[6-(2,5-dimethylpyrazol-3-yl)oxy-2-propylpyrimidin-4-yl]hydrazine
CID 81346337
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
3,5-dichloro-6-(2,5-dimethylpyrazol-3-yl)oxypyridin-2-amine
CID 102761083
6-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 81346872
3,5-dichloro-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyridin-2-amine
CID 102761085
[6-(2,5-dimethylpyrazol-3-yl)oxy-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 81345795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine (CID 81346219) is 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(Oc2cc(C)nn2C)n1.
What is the InChIKey of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine?
The InChIKey is HXJLPWRWQZFCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-5-6-10-15-12(14)9(3)13(16-10)19-11-7-8(2)17-18(11)4/h7H,5-6H2,1-4H3.
What are the key properties of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine?
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine has a molecular weight of 280.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 81346219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).