4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H10F2N4 — CID 80761660

IUPAC4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N4/c1-14-11-15-3-2-10(17-11)16-9-5-7(12)4-8(13)6-9/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyHUPIKULUUFYUOP-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.54
Rot. Bonds3

About 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80761660) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80761660
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N4/c1-14-11-15-3-2-10(17-11)16-9-5-7(12)4-8(13)6-9/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyHUPIKULUUFYUOP-UHFFFAOYSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107580704
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 83082816
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80769352
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741
4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891626
4-N-(2-chloro-4-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755520

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80761660) is 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is HUPIKULUUFYUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-14-11-15-3-2-10(17-11)16-9-5-7(12)4-8(13)6-9/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 236.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80761660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).