5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide

C12H15FN4O5 — CID 20525053

IUPAC5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(CCNC(=O)n1cc(F)c(=O)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C12H15FN4O5/c13-8-7-17(12(21)15-10(8)19)11(20)14-2-1-9(18)16-3-5-22-6-4-16/h7H,1-6H2,(H,14,20)(H,15,19,21)
InChIKeyLAMKIGIDYDAJAW-UHFFFAOYSA-N
MW314.27 g/mol
LogP-1.52
Rot. Bonds3

About 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide

5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 20525053) has the molecular formula C12H15FN4O5 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID20525053
Molecular FormulaC12H15FN4O5
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(CCNC(=O)n1cc(F)c(=O)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C12H15FN4O5/c13-8-7-17(12(21)15-10(8)19)11(20)14-2-1-9(18)16-3-5-22-6-4-16/h7H,1-6H2,(H,14,20)(H,15,19,21)
InChIKeyLAMKIGIDYDAJAW-UHFFFAOYSA-N
XLogP-1.52
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
1-[N-(2-ethoxyethyl)carbamoyl]-5-fluorouracil
CID 20525034
5-fluoro-3-[(4-oxidomorpholin-4-ium-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 59149434
5-Fluoro-1-[(4-oxidomorpholin-4-ium-4-yl)methyl]pyrimidine-2,4-dione
CID 59149450
5-fluoro-3-[(4-hydroxymorpholin-4-ium-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 59149452
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanamide
CID 117958199
1-(Dimorpholin-4-ylmethyl)-5-fluoropyrimidine-2,4-dione
CID 145776833
2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate
CID 156663375
5-Fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
CID 55219096
5-Fluoro-1-[3-(2-methoxyethylamino)propyl]pyrimidine-2,4-dione
CID 55220473
5-Fluoro-1-(morpholin-2-ylmethyl)pyrimidine-2,4-dione
CID 64534458
1-[2-(2-Aminoethoxy)ethyl]-5-fluoropyrimidine-2,4-dione
CID 103482353

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide (CID 20525053) is 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide is O=C(CCNC(=O)n1cc(F)c(=O)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is LAMKIGIDYDAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O5/c13-8-7-17(12(21)15-10(8)19)11(20)14-2-1-9(18)16-3-5-22-6-4-16/h7H,1-6H2,(H,14,20)(H,15,19,21).
What are the key properties of 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 314.27 g/mol, XLogP of -1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 20525053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).