ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate

C12H18N4O5 — CID 901758

IUPACethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1cn(CCN(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O5/c1-4-21-12(20)14-10(18)8-7-16(6-5-15(2)3)11(19)13-9(8)17/h7H,4-6H2,1-3H3,(H,13,17,19)(H,14,18,20)
InChIKeyMEQJDQPPIIAXGE-UHFFFAOYSA-N
MW298.30 g/mol
LogP-1.02
Rot. Bonds5

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

ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate (PubChem CID 901758) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
PubChem CID901758
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Nameethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1cn(CCN(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O5/c1-4-21-12(20)14-10(18)8-7-16(6-5-15(2)3)11(19)13-9(8)17/h7H,4-6H2,1-3H3,(H,13,17,19)(H,14,18,20)
InChIKeyMEQJDQPPIIAXGE-UHFFFAOYSA-N
XLogP-1.02
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl (1-{2-[(2-hydroxyethyl)amino]ethyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
CID 361688
methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
CID 901779
Ethyl (2,4-dihydroxy-5-pyrimidinyl)carbonylcarbamate
CID 367417
ethyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate
CID 361686
Ethyl (1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
CID 364812
Ethyl (1-cyclohexyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
CID 367237
ethyl N-[1-(3-hydroxypropyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate
CID 368822
Ethyl 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]piperazine-1-carboxylate
CID 76312213
methyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate
CID 901784
ethyl N-[2,4-dioxo-1-(2-sulfanylethyl)pyrimidine-5-carbonyl]carbamate
CID 901793
ethyl N-[1-[3-(dibutylamino)propyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
CID 3636848
Ethyl (1-allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate
CID 56683948

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The IUPAC name of ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate (CID 901758) is ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate is CCOC(=O)NC(=O)c1cn(CCN(C)C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The InChIKey is MEQJDQPPIIAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-4-21-12(20)14-10(18)8-7-16(6-5-15(2)3)11(19)13-9(8)17/h7H,4-6H2,1-3H3,(H,13,17,19)(H,14,18,20).
What are the key properties of ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate?
ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate has a molecular weight of 298.30 g/mol, XLogP of -1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(dimethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate is sourced from PubChem (CID 901758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).