5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C12H16FN5 — CID 66000415

IUPAC5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)nn(C)c2C)nc(C)c1F
InChIInChI=1S/C12H16FN5/c1-6-9(8(3)18(5)17-6)11-15-7(2)10(13)12(14-4)16-11/h1-5H3,(H,14,15,16)
InChIKeyLPHFIAZZUIRFJP-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.98
Rot. Bonds2

About 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66000415) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66000415
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2c(C)nn(C)c2C)nc(C)c1F
InChIInChI=1S/C12H16FN5/c1-6-9(8(3)18(5)17-6)11-15-7(2)10(13)12(14-4)16-11/h1-5H3,(H,14,15,16)
InChIKeyLPHFIAZZUIRFJP-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 83093937
5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine
CID 66118110
5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 62203983
6-ethyl-5-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 63560066
5-fluoro-N,6-dimethyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66000214
5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 113329095
N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66295855
[2-(1,5-dimethylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 79584800
5-propyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
CID 61338679
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine
CID 117079518
2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 106849543
N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 63547720

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 66000415) is 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is CNc1nc(-c2c(C)nn(C)c2C)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is LPHFIAZZUIRFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-6-9(8(3)18(5)17-6)11-15-7(2)10(13)12(14-4)16-11/h1-5H3,(H,14,15,16).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 249.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66000415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).