1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

C19H22FN5O2 — CID 10451855

IUPAC1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(C(=O)c3cc(F)ccc3C)c(N)n2)CC1
InChIInChI=1S/C19H22FN5O2/c1-11-3-4-13(20)9-15(11)17(27)16-10-22-19(24-18(16)21)23-14-5-7-25(8-6-14)12(2)26/h3-4,9-10,14H,5-8H2,1-2H3,(H3,21,22,23,24)
InChIKeyVEPGIEJYITWHME-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.16
Rot. Bonds4

About 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 10451855) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID10451855
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(C(=O)c3cc(F)ccc3C)c(N)n2)CC1
InChIInChI=1S/C19H22FN5O2/c1-11-3-4-13(20)9-15(11)17(27)16-10-22-19(24-18(16)21)23-14-5-7-25(8-6-14)12(2)26/h3-4,9-10,14H,5-8H2,1-2H3,(H3,21,22,23,24)
InChIKeyVEPGIEJYITWHME-UHFFFAOYSA-N
XLogP2.16
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (CID 10451855) is 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ncc(C(=O)c3cc(F)ccc3C)c(N)n2)CC1.
What is the InChIKey of 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is VEPGIEJYITWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-11-3-4-13(20)9-15(11)17(27)16-10-22-19(24-18(16)21)23-14-5-7-25(8-6-14)12(2)26/h3-4,9-10,14H,5-8H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 371.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-amino-5-(5-fluoro-2-methylbenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 10451855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).