1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

C21H20FN5O — CID 110253122

IUPAC1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCN2C(=O)Cc2ccccn2)n1
InChIInChI=1S/C21H20FN5O/c22-15-6-3-5-14(11-15)17-13-25-21(23)26-20(17)18-8-4-10-27(18)19(28)12-16-7-1-2-9-24-16/h1-3,5-7,9,11,13,18H,4,8,10,12H2,(H2,23,25,26)
InChIKeyDZCTXIIJJCIALQ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.17
Rot. Bonds4

About 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 110253122) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID110253122
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
SMILESNc1ncc(-c2cccc(F)c2)c(C2CCCN2C(=O)Cc2ccccn2)n1
InChIInChI=1S/C21H20FN5O/c22-15-6-3-5-14(11-15)17-13-25-21(23)26-20(17)18-8-4-10-27(18)19(28)12-16-7-1-2-9-24-16/h1-3,5-7,9,11,13,18H,4,8,10,12H2,(H2,23,25,26)
InChIKeyDZCTXIIJJCIALQ-UHFFFAOYSA-N
XLogP3.17
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101
1-[(2S)-2-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 95815058
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
1-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95815204
1-[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95815187
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
1-[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836986
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 124961135

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (CID 110253122) is 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is Nc1ncc(-c2cccc(F)c2)c(C2CCCN2C(=O)Cc2ccccn2)n1.
What is the InChIKey of 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is DZCTXIIJJCIALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-15-6-3-5-14(11-15)17-13-25-21(23)26-20(17)18-8-4-10-27(18)19(28)12-16-7-1-2-9-24-16/h1-3,5-7,9,11,13,18H,4,8,10,12H2,(H2,23,25,26).
What are the key properties of 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 377.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 110253122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).