5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine

C12H17FN6 — CID 72888557

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2ccnn2C)ncc1F
InChIInChI=1S/C12H17FN6/c1-18(2)11-10(13)8-15-12(17-11)14-6-4-9-5-7-16-19(9)3/h5,7-8H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyWEYYLZZUDGBTOG-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.07
Rot. Bonds5

About 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72888557) has the molecular formula C12H17FN6 and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72888557
Molecular FormulaC12H17FN6
Molecular Weight264.31 g/mol
Exact Mass264.15
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2ccnn2C)ncc1F
InChIInChI=1S/C12H17FN6/c1-18(2)11-10(13)8-15-12(17-11)14-6-4-9-5-7-16-19(9)3/h5,7-8H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyWEYYLZZUDGBTOG-UHFFFAOYSA-N
XLogP1.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 72888557) is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is CN(C)c1nc(NCCc2ccnn2C)ncc1F.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is WEYYLZZUDGBTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN6/c1-18(2)11-10(13)8-15-12(17-11)14-6-4-9-5-7-16-19(9)3/h5,7-8H,4,6H2,1-3H3,(H,14,15,17).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 264.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72888557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).