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

C10H16FN5O2S — CID 156533351

IUPAC5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC(Nc2nc(N)ncc2F)CC1
InChIInChI=1S/C10H16FN5O2S/c1-19(17,18)16-4-2-7(3-5-16)14-9-8(11)6-13-10(12)15-9/h6-7H,2-5H2,1H3,(H3,12,13,14,15)
InChIKeyNGFIFCNFFPJULZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.03
Rot. Bonds3

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

5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 156533351) has the molecular formula C10H16FN5O2S and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID156533351
Molecular FormulaC10H16FN5O2S
Molecular Weight289.34 g/mol
Exact Mass289.10
IUPAC Name5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC(Nc2nc(N)ncc2F)CC1
InChIInChI=1S/C10H16FN5O2S/c1-19(17,18)16-4-2-7(3-5-16)14-9-8(11)6-13-10(12)15-9/h6-7H,2-5H2,1H3,(H3,12,13,14,15)
InChIKeyNGFIFCNFFPJULZ-UHFFFAOYSA-N
XLogP0.03
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
CID 115320463
4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198376
5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-4-(2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 164588471
3-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,2,4-triamine
CID 142620981
7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
CID 71871267
4-[6-(dimethylamino)-5-fluoro-3-pyridinyl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 171617204
3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 87053008
4-(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 167193069
5-fluoro-2-N-[3-fluoro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68668794
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 167193062
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365
4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 90245389

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 156533351) is 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine is CS(=O)(=O)N1CCC(Nc2nc(N)ncc2F)CC1.
What is the InChIKey of 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is NGFIFCNFFPJULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O2S/c1-19(17,18)16-4-2-7(3-5-16)14-9-8(11)6-13-10(12)15-9/h6-7H,2-5H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 156533351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).