6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine

C12H14FN3S — CID 103879890

IUPAC6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc(C)s2)c1F
InChIInChI=1S/C12H14FN3S/c1-3-10-11(13)12(16-7-15-10)14-6-9-5-4-8(2)17-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyWNFIRGXAWJFYKK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.16
Rot. Bonds4

About 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 103879890) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID103879890
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc(C)s2)c1F
InChIInChI=1S/C12H14FN3S/c1-3-10-11(13)12(16-7-15-10)14-6-9-5-4-8(2)17-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyWNFIRGXAWJFYKK-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine (CID 103879890) is 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine is CCc1ncnc(NCc2ccc(C)s2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is WNFIRGXAWJFYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-3-10-11(13)12(16-7-15-10)14-6-9-5-4-8(2)17-9/h4-5,7H,3,6H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103879890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).