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

C12H13FN4 — CID 122281980

IUPAC6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C12H13FN4/c1-17(2)12-7-11(14-8-15-12)16-10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H,14,15,16)
InChIKeyZTVWOHXOYOQHSG-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.43
Rot. Bonds3

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

6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 122281980) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID122281980
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C12H13FN4/c1-17(2)12-7-11(14-8-15-12)16-10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H,14,15,16)
InChIKeyZTVWOHXOYOQHSG-UHFFFAOYSA-N
XLogP2.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 122281980) is 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(Nc2cccc(F)c2)ncn1.
What is the InChIKey of 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is ZTVWOHXOYOQHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-17(2)12-7-11(14-8-15-12)16-10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 122281980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).