2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C11H11ClFN3S — CID 79080432

IUPAC2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1cccs1)c1nc(Cl)ncc1F
InChIInChI=1S/C11H11ClFN3S/c1-2-16(7-8-4-3-5-17-8)10-9(13)6-14-11(12)15-10/h3-6H,2,7H2,1H3
InChIKeyASSKWXHFEOERPK-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 79080432) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID79080432
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1cccs1)c1nc(Cl)ncc1F
InChIInChI=1S/C11H11ClFN3S/c1-2-16(7-8-4-3-5-17-8)10-9(13)6-14-11(12)15-10/h3-6H,2,7H2,1H3
InChIKeyASSKWXHFEOERPK-UHFFFAOYSA-N
XLogP3.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 79080432) is 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCN(Cc1cccs1)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ASSKWXHFEOERPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-2-16(7-8-4-3-5-17-8)10-9(13)6-14-11(12)15-10/h3-6H,2,7H2,1H3.
What are the key properties of 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 271.75 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79080432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).