5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine

C17H21FN4S — CID 121292872

IUPAC5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCCCc1nc(N)nc(N2CCSCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4S/c1-2-3-14-15(12-4-6-13(18)7-5-12)16(21-17(19)20-14)22-8-10-23-11-9-22/h4-7H,2-3,8-11H2,1H3,(H2,19,20,21)
InChIKeySHVLOFCZNAVHBS-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.37
Rot. Bonds4

About 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine

5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 121292872) has the molecular formula C17H21FN4S and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine
PubChem CID121292872
Molecular FormulaC17H21FN4S
Molecular Weight332.45 g/mol
Exact Mass332.15
IUPAC Name5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCCCc1nc(N)nc(N2CCSCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4S/c1-2-3-14-15(12-4-6-13(18)7-5-12)16(21-17(19)20-14)22-8-10-23-11-9-22/h4-7H,2-3,8-11H2,1H3,(H2,19,20,21)
InChIKeySHVLOFCZNAVHBS-UHFFFAOYSA-N
XLogP3.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine (CID 121292872) is 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine is CCCc1nc(N)nc(N2CCSCC2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine?
The InChIKey is SHVLOFCZNAVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4S/c1-2-3-14-15(12-4-6-13(18)7-5-12)16(21-17(19)20-14)22-8-10-23-11-9-22/h4-7H,2-3,8-11H2,1H3,(H2,19,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine?
5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 332.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-propyl-6-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 121292872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).