5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine

C12H11ClF2N4O — CID 71462440

IUPAC5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2OC(F)F)ncc1Cl
InChIInChI=1S/C12H11ClF2N4O/c1-16-10-7(13)6-17-12(19-10)18-8-4-2-3-5-9(8)20-11(14)15/h2-6,11H,1H3,(H2,16,17,18,19)
InChIKeyBFPOUUNMLVVJLL-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.52
Rot. Bonds5

About 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine

5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 71462440) has the molecular formula C12H11ClF2N4O and a molecular weight of 300.70 g/mol. Its IUPAC name is 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID71462440
Molecular FormulaC12H11ClF2N4O
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC Name5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2OC(F)F)ncc1Cl
InChIInChI=1S/C12H11ClF2N4O/c1-16-10-7(13)6-17-12(19-10)18-8-4-2-3-5-9(8)20-11(14)15/h2-6,11H,1H3,(H2,16,17,18,19)
InChIKeyBFPOUUNMLVVJLL-UHFFFAOYSA-N
XLogP3.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine (CID 71462440) is 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine is CNc1nc(Nc2ccccc2OC(F)F)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is BFPOUUNMLVVJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4O/c1-16-10-7(13)6-17-12(19-10)18-8-4-2-3-5-9(8)20-11(14)15/h2-6,11H,1H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine?
5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 300.70 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[2-(difluoromethoxy)phenyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 71462440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).