[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone

C25H27FN6O2 — CID 110151413

IUPAC[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
SMILESNc1ncc(-c2ccc(F)cc2)c(C2CCCCN2C(=O)c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C25H27FN6O2/c26-19-6-4-17(5-7-19)20-16-29-25(27)30-23(20)21-3-1-2-10-32(21)24(33)18-8-9-28-22(15-18)31-11-13-34-14-12-31/h4-9,15-16,21H,1-3,10-14H2,(H2,27,29,30)
InChIKeyUVNQGCULUHTIIJ-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.46
Rot. Bonds4

About [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone

[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone (PubChem CID 110151413) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
PubChem CID110151413
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
SMILESNc1ncc(-c2ccc(F)cc2)c(C2CCCCN2C(=O)c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C25H27FN6O2/c26-19-6-4-17(5-7-19)20-16-29-25(27)30-23(20)21-3-1-2-10-32(21)24(33)18-8-9-28-22(15-18)31-11-13-34-14-12-31/h4-9,15-16,21H,1-3,10-14H2,(H2,27,29,30)
InChIKeyUVNQGCULUHTIIJ-UHFFFAOYSA-N
XLogP3.46
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
1-[(2S)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95837026
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 95815176
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
CID 95836742
4-[2-amino-4-(1-benzoylpiperidin-2-yl)pyrimidin-5-yl]benzamide
CID 110266760
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The IUPAC name of [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone (CID 110151413) is [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone.
What is the SMILES notation for [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The canonical SMILES for [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone is Nc1ncc(-c2ccc(F)cc2)c(C2CCCCN2C(=O)c2ccnc(N3CCOCC3)c2)n1.
What is the InChIKey of [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The InChIKey is UVNQGCULUHTIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-19-6-4-17(5-7-19)20-16-29-25(27)30-23(20)21-3-1-2-10-32(21)24(33)18-8-9-28-22(15-18)31-11-13-34-14-12-31/h4-9,15-16,21H,1-3,10-14H2,(H2,27,29,30).
What are the key properties of [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone has a molecular weight of 462.53 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone is sourced from PubChem (CID 110151413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).