4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine

C14H13Cl2FN2 — CID 55217215

IUPAC4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(Cc2cccc(F)c2)nc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-8(2)12-13(15)18-11(19-14(12)16)7-9-4-3-5-10(17)6-9/h3-6,8H,7H2,1-2H3
InChIKeyPUSWBYMZDKDCBF-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.64
Rot. Bonds3

About 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine

4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine (PubChem CID 55217215) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine
PubChem CID55217215
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(Cc2cccc(F)c2)nc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-8(2)12-13(15)18-11(19-14(12)16)7-9-4-3-5-10(17)6-9/h3-6,8H,7H2,1-2H3
InChIKeyPUSWBYMZDKDCBF-UHFFFAOYSA-N
XLogP4.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine (CID 55217215) is 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(Cc2cccc(F)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine?
The InChIKey is PUSWBYMZDKDCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-8(2)12-13(15)18-11(19-14(12)16)7-9-4-3-5-10(17)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine?
4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine has a molecular weight of 299.18 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3-fluorophenyl)methyl]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55217215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).