ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate

C19H32N4O5 — CID 3636848

IUPACethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
SMILESCCCCN(CCCC)CCCn1cc(C(=O)NC(=O)OCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O5/c1-4-7-10-22(11-8-5-2)12-9-13-23-14-15(16(24)20-18(23)26)17(25)21-19(27)28-6-3/h14H,4-13H2,1-3H3,(H,20,24,26)(H,21,25,27)
InChIKeyXLNZVCLZEWRTBX-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.72
Rot. Bonds12

About ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate

ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate (PubChem CID 3636848) has the molecular formula C19H32N4O5 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
PubChem CID3636848
Molecular FormulaC19H32N4O5
Molecular Weight396.49 g/mol
Exact Mass396.24
IUPAC Nameethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
SMILESCCCCN(CCCC)CCCn1cc(C(=O)NC(=O)OCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O5/c1-4-7-10-22(11-8-5-2)12-9-13-23-14-15(16(24)20-18(23)26)17(25)21-19(27)28-6-3/h14H,4-13H2,1-3H3,(H,20,24,26)(H,21,25,27)
InChIKeyXLNZVCLZEWRTBX-UHFFFAOYSA-N
XLogP1.72
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The IUPAC name of ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate (CID 3636848) is ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The canonical SMILES for ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate is CCCCN(CCCC)CCCn1cc(C(=O)NC(=O)OCC)c(=O)[nH]c1=O.
What is the InChIKey of ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The InChIKey is XLNZVCLZEWRTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O5/c1-4-7-10-22(11-8-5-2)12-9-13-23-14-15(16(24)20-18(23)26)17(25)21-19(27)28-6-3/h14H,4-13H2,1-3H3,(H,20,24,26)(H,21,25,27).
What are the key properties of ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate?
ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate has a molecular weight of 396.49 g/mol, XLogP of 1.72, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate is sourced from PubChem (CID 3636848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).