tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate

C14H22N4O5 — CID 158183140

IUPACtert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate
SMILESCn1c(N)c(CC(=O)CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O5/c1-14(2,3)23-12(21)16-7-8(19)6-9-10(15)17(4)13(22)18(5)11(9)20/h6-7,15H2,1-5H3,(H,16,21)
InChIKeyDVDRHAZEXBVSRT-UHFFFAOYSA-N
MW326.35 g/mol
LogP-0.70
Rot. Bonds4

About tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate

tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate (PubChem CID 158183140) has the molecular formula C14H22N4O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate
PubChem CID158183140
Molecular FormulaC14H22N4O5
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Nametert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate
SMILESCn1c(N)c(CC(=O)CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O5/c1-14(2,3)23-12(21)16-7-8(19)6-9-10(15)17(4)13(22)18(5)11(9)20/h6-7,15H2,1-5H3,(H,16,21)
InChIKeyDVDRHAZEXBVSRT-UHFFFAOYSA-N
XLogP-0.70
TPSA125.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate with MolForge

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Related Compounds

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ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
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tert-butyl N-[3-(3-chlorophenyl)-2-oxopropyl]carbamate
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tert-butyl N-[3-(2,5-difluorophenyl)-2-oxopropyl]carbamate;molecular hydrogen
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methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
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tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate
CID 167104188
tert-butyl N-[[2,4,6-trimethoxy-3,5-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
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tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate (CID 158183140) is tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate is Cn1c(N)c(CC(=O)CNC(=O)OC(C)(C)C)c(=O)n(C)c1=O.
What is the InChIKey of tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate?
The InChIKey is DVDRHAZEXBVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5/c1-14(2,3)23-12(21)16-7-8(19)6-9-10(15)17(4)13(22)18(5)11(9)20/h6-7,15H2,1-5H3,(H,16,21).
What are the key properties of tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate?
tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate has a molecular weight of 326.35 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate is sourced from PubChem (CID 158183140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).