4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine

C13H19ClN2O — CID 62914811

IUPAC4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine
SMILESCc1nc(C2CCOCC2)nc(Cl)c1C(C)C
InChIInChI=1S/C13H19ClN2O/c1-8(2)11-9(3)15-13(16-12(11)14)10-4-6-17-7-5-10/h8,10H,4-7H2,1-3H3
InChIKeyPMLKMPIOEOPKCU-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.46
Rot. Bonds2

About 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine

4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine (PubChem CID 62914811) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine
PubChem CID62914811
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine
SMILESCc1nc(C2CCOCC2)nc(Cl)c1C(C)C
InChIInChI=1S/C13H19ClN2O/c1-8(2)11-9(3)15-13(16-12(11)14)10-4-6-17-7-5-10/h8,10H,4-7H2,1-3H3
InChIKeyPMLKMPIOEOPKCU-UHFFFAOYSA-N
XLogP3.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine (CID 62914811) is 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine is Cc1nc(C2CCOCC2)nc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine?
The InChIKey is PMLKMPIOEOPKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8(2)11-9(3)15-13(16-12(11)14)10-4-6-17-7-5-10/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine?
4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 62914811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).