benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate

C19H23N5O5 — CID 71201669

IUPACbenzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate
SMILESCC(=O)CN(CCN)C(=O)Cn1ccc(NC(=O)OCc2ccccc2)nc1=O
InChIInChI=1S/C19H23N5O5/c1-14(25)11-23(10-8-20)17(26)12-24-9-7-16(21-18(24)27)22-19(28)29-13-15-5-3-2-4-6-15/h2-7,9H,8,10-13,20H2,1H3,(H,21,22,27,28)
InChIKeyASNAHEOETPQLTH-UHFFFAOYSA-N
MW401.42 g/mol
LogP0.37
Rot. Bonds9

About benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate

benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate (PubChem CID 71201669) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate
PubChem CID71201669
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Namebenzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate
SMILESCC(=O)CN(CCN)C(=O)Cn1ccc(NC(=O)OCc2ccccc2)nc1=O
InChIInChI=1S/C19H23N5O5/c1-14(25)11-23(10-8-20)17(26)12-24-9-7-16(21-18(24)27)22-19(28)29-13-15-5-3-2-4-6-15/h2-7,9H,8,10-13,20H2,1H3,(H,21,22,27,28)
InChIKeyASNAHEOETPQLTH-UHFFFAOYSA-N
XLogP0.37
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl N-(1-tert-butyl-2-oxopyrimidin-4-yl)carbamate
CID 118527129
(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[2-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 54380947
benzyl N-[1-[3-[(1-hydroxy-3-methylpentan-2-yl)amino]propyl]-2-oxopyrimidin-4-yl]carbamate
CID 46903637
2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl-[2-[4-[(4-methoxybenzoyl)amino]-2-oxopyrimidin-1-yl]acetyl]amino]acetic acid
CID 11028908
benzyl N-[1-[4-[5-(benzylcarbamoyl)-1,3,4-thiadiazol-2-yl]butyl]-2-oxopyrimidin-4-yl]carbamate
CID 118622598
benzyl N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 10665195
6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
CID 63643408
benzyl N-(2-aminoethyl)-N-(N-phenylmethoxycarbonylcarbamimidoyl)carbamate
CID 150075946
2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium
CID 4627781
tert-butyl (2R,4S)-4-azido-2-[[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 11397230
2-aminoethyl-[2-(phenylmethoxycarbonylamino)ethyl]carbamic acid
CID 151534176
benzyl N-[3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[3-(phenylmethoxycarbonylamino)propyl]amino]propyl]carbamate
CID 25266096

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate (CID 71201669) is benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate is CC(=O)CN(CCN)C(=O)Cn1ccc(NC(=O)OCc2ccccc2)nc1=O.
What is the InChIKey of benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is ASNAHEOETPQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-14(25)11-23(10-8-20)17(26)12-24-9-7-16(21-18(24)27)22-19(28)29-13-15-5-3-2-4-6-15/h2-7,9H,8,10-13,20H2,1H3,(H,21,22,27,28).
What are the key properties of benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate?
benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 401.42 g/mol, XLogP of 0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-[2-aminoethyl(2-oxopropyl)amino]-2-oxoethyl]-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 71201669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).