4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine

C15H21ClN4O — CID 106715351

IUPAC4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCCOC(c1nc(Cl)cc(-c2cnn(C)c2)n1)C(C)(C)C
InChIInChI=1S/C15H21ClN4O/c1-6-21-13(15(2,3)4)14-18-11(7-12(16)19-14)10-8-17-20(5)9-10/h7-9,13H,6H2,1-5H3
InChIKeyPWQXKOQJZLHZKZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.65
Rot. Bonds4

About 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine

4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106715351) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106715351
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCCOC(c1nc(Cl)cc(-c2cnn(C)c2)n1)C(C)(C)C
InChIInChI=1S/C15H21ClN4O/c1-6-21-13(15(2,3)4)14-18-11(7-12(16)19-14)10-8-17-20(5)9-10/h7-9,13H,6H2,1-5H3
InChIKeyPWQXKOQJZLHZKZ-UHFFFAOYSA-N
XLogP3.65
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 106715359
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine
CID 106715360
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
5-(diethoxymethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65197961
1-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]azepane
CID 106715363
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715271
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine
CID 116706142
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106715351) is 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine is CCOC(c1nc(Cl)cc(-c2cnn(C)c2)n1)C(C)(C)C.
What is the InChIKey of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is PWQXKOQJZLHZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-6-21-13(15(2,3)4)14-18-11(7-12(16)19-14)10-8-17-20(5)9-10/h7-9,13H,6H2,1-5H3.
What are the key properties of 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 308.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106715351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).