4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C14H17FN4 — CID 47376906

IUPAC4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCc2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C14H17FN4/c1-10-9-13(18-14(16)17-10)19(2)8-7-11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyZODCKFOXBWOCJE-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.19
Rot. Bonds4

About 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 47376906) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID47376906
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)CCc2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C14H17FN4/c1-10-9-13(18-14(16)17-10)19(2)8-7-11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyZODCKFOXBWOCJE-UHFFFAOYSA-N
XLogP2.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 47376906) is 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)CCc2ccc(F)cc2)nc(N)n1.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is ZODCKFOXBWOCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-9-13(18-14(16)17-10)19(2)8-7-11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 47376906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).