5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C17H21FN4 — CID 121332329

IUPAC5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCCc1nc(N)nc(N2CCCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4/c1-2-5-14-15(12-6-8-13(18)9-7-12)16(21-17(19)20-14)22-10-3-4-11-22/h6-9H,2-5,10-11H2,1H3,(H2,19,20,21)
InChIKeyRNRVFSRWQKQQCR-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.42
Rot. Bonds4

About 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine

5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 121332329) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID121332329
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCCc1nc(N)nc(N2CCCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4/c1-2-5-14-15(12-6-8-13(18)9-7-12)16(21-17(19)20-14)22-10-3-4-11-22/h6-9H,2-5,10-11H2,1H3,(H2,19,20,21)
InChIKeyRNRVFSRWQKQQCR-UHFFFAOYSA-N
XLogP3.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 121332329) is 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine is CCCc1nc(N)nc(N2CCCC2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is RNRVFSRWQKQQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-2-5-14-15(12-6-8-13(18)9-7-12)16(21-17(19)20-14)22-10-3-4-11-22/h6-9H,2-5,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-propyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 121332329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).