4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C16H14FN3O2S2 — CID 167018958

IUPAC4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(F)nc(NCc3cccs3)n2)cc1
InChIInChI=1S/C16H14FN3O2S2/c1-24(21,22)13-6-4-11(5-7-13)14-9-15(17)20-16(19-14)18-10-12-3-2-8-23-12/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyUUYYZHDAAKCAKM-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.36
Rot. Bonds5

About 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 167018958) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID167018958
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC Name4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(F)nc(NCc3cccs3)n2)cc1
InChIInChI=1S/C16H14FN3O2S2/c1-24(21,22)13-6-4-11(5-7-13)14-9-15(17)20-16(19-14)18-10-12-3-2-8-23-12/h2-9H,10H2,1H3,(H,18,19,20)
InChIKeyUUYYZHDAAKCAKM-UHFFFAOYSA-N
XLogP3.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methoxymethyl)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 167581803
3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine
CID 167635192
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 167554192
4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 68647705
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
2-[6-(3-methylphenyl)-2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]oxyacetic acid
CID 95926883
2-N,4-N-bis(4-fluorophenyl)-6-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134152918
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine
CID 3660565
1-ethyl-2-[(4-methylsulfonylphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257645
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 167018958) is 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is CS(=O)(=O)c1ccc(-c2cc(F)nc(NCc3cccs3)n2)cc1.
What is the InChIKey of 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is UUYYZHDAAKCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c1-24(21,22)13-6-4-11(5-7-13)14-9-15(17)20-16(19-14)18-10-12-3-2-8-23-12/h2-9H,10H2,1H3,(H,18,19,20).
What are the key properties of 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 363.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 167018958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).