N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

C12H15FN4O4 — CID 129083038

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(CNC(=O)n1cc(F)c(=O)[nH]c1=O)NC1CCCC1
InChIInChI=1S/C12H15FN4O4/c13-8-6-17(12(21)16-10(8)19)11(20)14-5-9(18)15-7-3-1-2-4-7/h6-7H,1-5H2,(H,14,20)(H,15,18)(H,16,19,21)
InChIKeyHVWGSYVSBHORAX-UHFFFAOYSA-N
MW298.27 g/mol
LogP-0.71
Rot. Bonds3

About N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 129083038) has the molecular formula C12H15FN4O4 and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID129083038
Molecular FormulaC12H15FN4O4
Molecular Weight298.27 g/mol
Exact Mass298.11
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(CNC(=O)n1cc(F)c(=O)[nH]c1=O)NC1CCCC1
InChIInChI=1S/C12H15FN4O4/c13-8-6-17(12(21)16-10(8)19)11(20)14-5-9(18)15-7-3-1-2-4-7/h6-7H,1-5H2,(H,14,20)(H,15,18)(H,16,19,21)
InChIKeyHVWGSYVSBHORAX-UHFFFAOYSA-N
XLogP-0.71
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 129083038) is N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(CNC(=O)n1cc(F)c(=O)[nH]c1=O)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is HVWGSYVSBHORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O4/c13-8-6-17(12(21)16-10(8)19)11(20)14-5-9(18)15-7-3-1-2-4-7/h6-7H,1-5H2,(H,14,20)(H,15,18)(H,16,19,21).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 298.27 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 129083038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).