ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate

C10H14N4O4 — CID 157074454

IUPACethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1ccnc(NC(=O)OCC)n1
InChIInChI=1S/C10H14N4O4/c1-3-17-9(15)13-7-5-6-11-8(12-7)14-10(16)18-4-2/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyACURDMGEKOYLEG-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.61
Rot. Bonds4

About ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate

ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate (PubChem CID 157074454) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
PubChem CID157074454
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Nameethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1ccnc(NC(=O)OCC)n1
InChIInChI=1S/C10H14N4O4/c1-3-17-9(15)13-7-5-6-11-8(12-7)14-10(16)18-4-2/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyACURDMGEKOYLEG-UHFFFAOYSA-N
XLogP1.61
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
ethyl N-(5-methoxypyrimidin-2-yl)carbamate
CID 4159152
ethyl N-pyrido[3,4-b]pyrazin-7-ylcarbamate
CID 69170095
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
2-ethoxy-N-(4-methylpyrimidin-2-yl)acetamide
CID 7336905
ethyl 4-[[4-(4-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112901962
ethyl N-(4-methylfuro[3,2-c]pyridin-6-yl)carbamate
CID 12739067
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate?
The IUPAC name of ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate (CID 157074454) is ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate is CCOC(=O)Nc1ccnc(NC(=O)OCC)n1.
What is the InChIKey of ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate?
The InChIKey is ACURDMGEKOYLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-3-17-9(15)13-7-5-6-11-8(12-7)14-10(16)18-4-2/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15,16).
What are the key properties of ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate?
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate has a molecular weight of 254.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 157074454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).