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

C18H20FN5O2 — CID 21070364

IUPAC1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(C(=O)c3ccc(F)cc3)c(N)n2)CC1
InChIInChI=1S/C18H20FN5O2/c1-11(25)24-8-6-14(7-9-24)22-18-21-10-15(17(20)23-18)16(26)12-2-4-13(19)5-3-12/h2-5,10,14H,6-9H2,1H3,(H3,20,21,22,23)
InChIKeyNDSGBJXAWDNRFO-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.85
Rot. Bonds4

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

1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 21070364) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID21070364
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(C(=O)c3ccc(F)cc3)c(N)n2)CC1
InChIInChI=1S/C18H20FN5O2/c1-11(25)24-8-6-14(7-9-24)22-18-21-10-15(17(20)23-18)16(26)12-2-4-13(19)5-3-12/h2-5,10,14H,6-9H2,1H3,(H3,20,21,22,23)
InChIKeyNDSGBJXAWDNRFO-UHFFFAOYSA-N
XLogP1.85
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.85
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-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (CID 21070364) is 1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ncc(C(=O)c3ccc(F)cc3)c(N)n2)CC1.
What is the InChIKey of 1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is NDSGBJXAWDNRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-11(25)24-8-6-14(7-9-24)22-18-21-10-15(17(20)23-18)16(26)12-2-4-13(19)5-3-12/h2-5,10,14H,6-9H2,1H3,(H3,20,21,22,23).
What are the key properties of 1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[4-amino-5-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 357.39 g/mol, XLogP of 1.85, 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-(4-fluorobenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 21070364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).