5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine

C18H17FN6 — CID 110266907

IUPAC5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCN2c2ncccn2)n1
InChIInChI=1S/C18H17FN6/c19-13-5-1-4-12(10-13)14-11-23-17(20)24-16(14)15-6-2-9-25(15)18-21-7-3-8-22-18/h1,3-5,7-8,10-11,15H,2,6,9H2,(H2,20,23,24)
InChIKeyCSMQUJDLCQXRRK-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.00
Rot. Bonds3

About 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine

5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine (PubChem CID 110266907) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
PubChem CID110266907
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCN2c2ncccn2)n1
InChIInChI=1S/C18H17FN6/c19-13-5-1-4-12(10-13)14-11-23-17(20)24-16(14)15-6-2-9-25(15)18-21-7-3-8-22-18/h1,3-5,7-8,10-11,15H,2,6,9H2,(H2,20,23,24)
InChIKeyCSMQUJDLCQXRRK-UHFFFAOYSA-N
XLogP3.00
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110253068
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110253122
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837178
1-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95815204
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
1-[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95815187

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine (CID 110266907) is 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine is Nc1ncc(-c2cccc(F)c2)c(C2CCCN2c2ncccn2)n1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine?
The InChIKey is CSMQUJDLCQXRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6/c19-13-5-1-4-12(10-13)14-11-23-17(20)24-16(14)15-6-2-9-25(15)18-21-7-3-8-22-18/h1,3-5,7-8,10-11,15H,2,6,9H2,(H2,20,23,24).
What are the key properties of 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine?
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine has a molecular weight of 336.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 110266907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).