N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H15N5O4 — CID 71795158

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cn1
InChIInChI=1S/C13H15N5O4/c1-2-8-5-11(20)18(7-15-8)4-3-14-12(21)9-6-10(19)17-13(22)16-9/h5-7H,2-4H2,1H3,(H,14,21)(H2,16,17,19,22)
InChIKeyNLPPEWCOTDXSER-UHFFFAOYSA-N
MW305.29 g/mol
LogP-1.39
Rot. Bonds5

About N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 71795158) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID71795158
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cn1
InChIInChI=1S/C13H15N5O4/c1-2-8-5-11(20)18(7-15-8)4-3-14-12(21)9-6-10(19)17-13(22)16-9/h5-7H,2-4H2,1H3,(H,14,21)(H2,16,17,19,22)
InChIKeyNLPPEWCOTDXSER-UHFFFAOYSA-N
XLogP-1.39
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 71795158) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCc1cc(=O)n(CCNC(=O)c2cc(=O)[nH]c(=O)[nH]2)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NLPPEWCOTDXSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c1-2-8-5-11(20)18(7-15-8)4-3-14-12(21)9-6-10(19)17-13(22)16-9/h5-7H,2-4H2,1H3,(H,14,21)(H2,16,17,19,22).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 305.29 g/mol, XLogP of -1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 71795158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).