6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine

C16H20FN3S — CID 133472316

IUPAC6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCc2ccc(F)cc2CSC)nc(C)n1
InChIInChI=1S/C16H20FN3S/c1-4-15-8-16(20-11(2)19-15)18-9-12-5-6-14(17)7-13(12)10-21-3/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyWYVXGLWNMADYBH-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.96
Rot. Bonds6

About 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine

6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 133472316) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
PubChem CID133472316
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCc2ccc(F)cc2CSC)nc(C)n1
InChIInChI=1S/C16H20FN3S/c1-4-15-8-16(20-11(2)19-15)18-9-12-5-6-14(17)7-13(12)10-21-3/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyWYVXGLWNMADYBH-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
CID 133461743
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133404171
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine
CID 133459980
N-[(1-ethylpyrazol-4-yl)methyl]-1-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanamine
CID 71855436
6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine
CID 133461305
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818999
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 133461292
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133461543

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine (CID 133472316) is 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine is CCc1cc(NCc2ccc(F)cc2CSC)nc(C)n1.
What is the InChIKey of 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is WYVXGLWNMADYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-4-15-8-16(20-11(2)19-15)18-9-12-5-6-14(17)7-13(12)10-21-3/h5-8H,4,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 305.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133472316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).