4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine

C17H21ClN2O — CID 116706757

IUPAC4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine
SMILESCOC(c1nc(Cl)c(C)c(-c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C17H21ClN2O/c1-11-13(12-9-7-6-8-10-12)19-16(20-15(11)18)14(21-5)17(2,3)4/h6-10,14H,1-5H3
InChIKeyUAOWSGZNSYXBBG-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.84
Rot. Bonds3

About 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine

4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine (PubChem CID 116706757) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine
PubChem CID116706757
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine
SMILESCOC(c1nc(Cl)c(C)c(-c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C17H21ClN2O/c1-11-13(12-9-7-6-8-10-12)19-16(20-15(11)18)14(21-5)17(2,3)4/h6-10,14H,1-5H3
InChIKeyUAOWSGZNSYXBBG-UHFFFAOYSA-N
XLogP4.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine (CID 116706757) is 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine is COC(c1nc(Cl)c(C)c(-c2ccccc2)n1)C(C)(C)C.
What is the InChIKey of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine?
The InChIKey is UAOWSGZNSYXBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11-13(12-9-7-6-8-10-12)19-16(20-15(11)18)14(21-5)17(2,3)4/h6-10,14H,1-5H3.
What are the key properties of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine?
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine has a molecular weight of 304.82 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine is sourced from PubChem (CID 116706757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).