5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine

C11H9FN6S — CID 139028115

IUPAC5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESFc1cncnc1NCc1cn(-c2cccs2)nn1
InChIInChI=1S/C11H9FN6S/c12-9-5-13-7-15-11(9)14-4-8-6-18(17-16-8)10-2-1-3-19-10/h1-3,5-7H,4H2,(H,13,14,15)
InChIKeyLXMIDYAUPQKHDP-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.87
Rot. Bonds4

About 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine

5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 139028115) has the molecular formula C11H9FN6S and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID139028115
Molecular FormulaC11H9FN6S
Molecular Weight276.30 g/mol
Exact Mass276.06
IUPAC Name5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESFc1cncnc1NCc1cn(-c2cccs2)nn1
InChIInChI=1S/C11H9FN6S/c12-9-5-13-7-15-11(9)14-4-8-6-18(17-16-8)10-2-1-3-19-10/h1-3,5-7H,4H2,(H,13,14,15)
InChIKeyLXMIDYAUPQKHDP-UHFFFAOYSA-N
XLogP1.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine (CID 139028115) is 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine is Fc1cncnc1NCc1cn(-c2cccs2)nn1.
What is the InChIKey of 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is LXMIDYAUPQKHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6S/c12-9-5-13-7-15-11(9)14-4-8-6-18(17-16-8)10-2-1-3-19-10/h1-3,5-7H,4H2,(H,13,14,15).
What are the key properties of 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine?
5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 276.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 139028115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).