4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine

C15H15ClN2O — CID 80974375

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OCc1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-10-13(16)17-14(12-7-8-12)18-15(10)19-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyJQXURQCNEAJSFG-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine (PubChem CID 80974375) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
PubChem CID80974375
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OCc1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-10-13(16)17-14(12-7-8-12)18-15(10)19-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyJQXURQCNEAJSFG-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine (CID 80974375) is 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine is Cc1c(Cl)nc(C2CC2)nc1OCc1ccccc1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine?
The InChIKey is JQXURQCNEAJSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-13(16)17-14(12-7-8-12)18-15(10)19-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine is sourced from PubChem (CID 80974375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).