N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide

C14H18FN5O3 — CID 91626437

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H18FN5O3/c15-9-7-17-12(18-8-9)23-11-3-1-10(2-4-11)19-14(22)20-6-5-16-13(20)21/h7-8,10-11H,1-6H2,(H,16,21)(H,19,22)
InChIKeyFQEFBXAQKXMRFH-UHFFFAOYSA-N
MW323.33 g/mol
LogP1.04
Rot. Bonds3

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 91626437) has the molecular formula C14H18FN5O3 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID91626437
Molecular FormulaC14H18FN5O3
Molecular Weight323.33 g/mol
Exact Mass323.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C14H18FN5O3/c15-9-7-17-12(18-8-9)23-11-3-1-10(2-4-11)19-14(22)20-6-5-16-13(20)21/h7-8,10-11H,1-6H2,(H,16,21)(H,19,22)
InChIKeyFQEFBXAQKXMRFH-UHFFFAOYSA-N
XLogP1.04
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]acetylaminoacetamide
CID 91626408
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]oxolane-3-carboxamide
CID 91626422
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626436
(3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide
CID 129356218
tert-Butyl 2-(((5-fluoropyrimidin-2-yl)amino)methyl)pyrrolidine-1-carboxylate
CID 60137513
4-[(5-fluoropyrimidin-2-yl)oxy]-N-(propan-2-yl)piperidine-1-carboxamide
CID 139028785
N-butan-2-yl-4-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 143541861
tert-butyl (2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 86329358
tert-butyl (2S)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 86329359
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)propanamide
CID 90634151
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)pent-4-enamide
CID 90634155
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 90634164

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide (CID 91626437) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide is O=C1NCCN1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is FQEFBXAQKXMRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O3/c15-9-7-17-12(18-8-9)23-11-3-1-10(2-4-11)19-14(22)20-6-5-16-13(20)21/h7-8,10-11H,1-6H2,(H,16,21)(H,19,22).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 91626437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).