4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine

C11H13ClN4O — CID 116792684

IUPAC4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine
SMILESCCc1nc(Cl)c(C)c(Oc2cnn(C)c2)n1
InChIInChI=1S/C11H13ClN4O/c1-4-9-14-10(12)7(2)11(15-9)17-8-5-13-16(3)6-8/h5-6H,4H2,1-3H3
InChIKeyHBFRAJCZNMXZAO-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.53
Rot. Bonds3

About 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine

4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine (PubChem CID 116792684) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine
PubChem CID116792684
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine
SMILESCCc1nc(Cl)c(C)c(Oc2cnn(C)c2)n1
InChIInChI=1S/C11H13ClN4O/c1-4-9-14-10(12)7(2)11(15-9)17-8-5-13-16(3)6-8/h5-6H,4H2,1-3H3
InChIKeyHBFRAJCZNMXZAO-UHFFFAOYSA-N
XLogP2.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-4-amine
CID 116794371
4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005
4-chloro-6-(2,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidine
CID 80974212
[2-ethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116794584
3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
CID 116793288
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
CID 80972982
2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116794488
4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
CID 80973551
ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate
CID 133487382
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
CID 81346219
4-chloro-2-ethyl-6-(1-ethylpyrazol-4-yl)-5-methylpyrimidine
CID 80975287
4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
CID 63736051

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine (CID 116792684) is 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine is CCc1nc(Cl)c(C)c(Oc2cnn(C)c2)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine?
The InChIKey is HBFRAJCZNMXZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-4-9-14-10(12)7(2)11(15-9)17-8-5-13-16(3)6-8/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine?
4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine has a molecular weight of 252.70 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidine is sourced from PubChem (CID 116792684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).