4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine

C11H11FN4 — CID 80760392

IUPAC4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C11H11FN4/c1-13-10-6-11(15-7-14-10)16-9-4-2-3-8(12)5-9/h2-7H,1H3,(H2,13,14,15,16)
InChIKeyWLLNQAACNZAZOA-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.40
Rot. Bonds3

About 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80760392) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80760392
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C11H11FN4/c1-13-10-6-11(15-7-14-10)16-9-4-2-3-8(12)5-9/h2-7H,1H3,(H2,13,14,15,16)
InChIKeyWLLNQAACNZAZOA-UHFFFAOYSA-N
XLogP2.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281980
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 122281805
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955468
4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858686
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762561
3-fluoro-N-methylaniline
CID 2759011

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80760392) is 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2cccc(F)c2)ncn1.
What is the InChIKey of 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is WLLNQAACNZAZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-13-10-6-11(15-7-14-10)16-9-4-2-3-8(12)5-9/h2-7H,1H3,(H2,13,14,15,16).
What are the key properties of 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 218.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80760392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).