6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine

C11H10ClFN4O — CID 82717617

IUPAC6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Oc2ccc(Cl)c(F)c2)nc(N)n1
InChIInChI=1S/C11H10ClFN4O/c1-15-9-5-10(17-11(14)16-9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyOMMVTPDODXGTPK-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.69
Rot. Bonds3

About 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine

6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 82717617) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
PubChem CID82717617
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Oc2ccc(Cl)c(F)c2)nc(N)n1
InChIInChI=1S/C11H10ClFN4O/c1-15-9-5-10(17-11(14)16-9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyOMMVTPDODXGTPK-UHFFFAOYSA-N
XLogP2.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80876593
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 82718901
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
2-tert-butyl-6-(3-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965877
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
6-(4-chlorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80863637
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
[6-(4-chloro-3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 82719273
4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724370
6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine (CID 82717617) is 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(Oc2ccc(Cl)c(F)c2)nc(N)n1.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is OMMVTPDODXGTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-15-9-5-10(17-11(14)16-9)18-6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine?
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 268.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 82717617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).