6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine

C8H11ClF2N4O — CID 86747119

IUPAC6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCNc1nc(Cl)c(OC(F)F)c(N(C)C)n1
InChIInChI=1S/C8H11ClF2N4O/c1-12-8-13-5(9)4(16-7(10)11)6(14-8)15(2)3/h7H,1-3H3,(H,12,13,14)
InChIKeyUOADAOGHOKZUCA-UHFFFAOYSA-N
MW252.65 g/mol
LogP1.84
Rot. Bonds4

About 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine

6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 86747119) has the molecular formula C8H11ClF2N4O and a molecular weight of 252.65 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID86747119
Molecular FormulaC8H11ClF2N4O
Molecular Weight252.65 g/mol
Exact Mass252.06
IUPAC Name6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCNc1nc(Cl)c(OC(F)F)c(N(C)C)n1
InChIInChI=1S/C8H11ClF2N4O/c1-12-8-13-5(9)4(16-7(10)11)6(14-8)15(2)3/h7H,1-3H3,(H,12,13,14)
InChIKeyUOADAOGHOKZUCA-UHFFFAOYSA-N
XLogP1.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (CID 86747119) is 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is CNc1nc(Cl)c(OC(F)F)c(N(C)C)n1.
What is the InChIKey of 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is UOADAOGHOKZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N4O/c1-12-8-13-5(9)4(16-7(10)11)6(14-8)15(2)3/h7H,1-3H3,(H,12,13,14).
What are the key properties of 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 252.65 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethoxy)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 86747119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).