5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C8H9FN6 — CID 141373154

IUPAC5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCn1cc(Nc2ncc(F)c(N)n2)cn1
InChIInChI=1S/C8H9FN6/c1-15-4-5(2-12-15)13-8-11-3-6(9)7(10)14-8/h2-4H,1H3,(H3,10,11,13,14)
InChIKeyUXGMKXNGCDNGJJ-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.68
Rot. Bonds2

About 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 141373154) has the molecular formula C8H9FN6 and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID141373154
Molecular FormulaC8H9FN6
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCn1cc(Nc2ncc(F)c(N)n2)cn1
InChIInChI=1S/C8H9FN6/c1-15-4-5(2-12-15)13-8-11-3-6(9)7(10)14-8/h2-4H,1H3,(H3,10,11,13,14)
InChIKeyUXGMKXNGCDNGJJ-UHFFFAOYSA-N
XLogP0.68
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281543
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
N4-methyl-N2-(1-methyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazol-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201491
1-(pyrimidin-2-yl)-1H-pyrazol-4-amine
CID 43531925
6-Methylpyrazolo(1,5-a)pyrimidin-3-amine
CID 60136465
1-(pyrimidin-5-yl)-1H-pyrazol-3-amine
CID 65690504
3-Methylpyrazolo[1,5-a]pyrimidin-6-amine
CID 84049931
4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 175664509
4-amino-1-(4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 14726863
[1,2,4]Triazolo[1,5-a]pyrimidin-6-amine dihydrochloride
CID 165478699

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 141373154) is 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is Cn1cc(Nc2ncc(F)c(N)n2)cn1.
What is the InChIKey of 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is UXGMKXNGCDNGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6/c1-15-4-5(2-12-15)13-8-11-3-6(9)7(10)14-8/h2-4H,1H3,(H3,10,11,13,14).
What are the key properties of 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 208.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141373154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).