2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine

C11H11ClFN3S — CID 66000420

IUPAC2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Cl)s2)nc(C)c1F
InChIInChI=1S/C11H11ClFN3S/c1-3-14-11-9(13)6(2)15-10(16-11)7-4-5-8(12)17-7/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyQYWITNBXOHFNAK-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.74
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine

2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 66000420) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID66000420
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Cl)s2)nc(C)c1F
InChIInChI=1S/C11H11ClFN3S/c1-3-14-11-9(13)6(2)15-10(16-11)7-4-5-8(12)17-7/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyQYWITNBXOHFNAK-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine (CID 66000420) is 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine is CCNc1nc(-c2ccc(Cl)s2)nc(C)c1F.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is QYWITNBXOHFNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-3-14-11-9(13)6(2)15-10(16-11)7-4-5-8(12)17-7/h4-5H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 271.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66000420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).