ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate

C18H19N5O4 — CID 132505191

IUPACethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)c1c(-c2ccccc2)nc2ncccn12
InChIInChI=1S/C18H19N5O4/c1-3-26-17(24)21-23(18(25)27-4-2)15-14(13-9-6-5-7-10-13)20-16-19-11-8-12-22(15)16/h5-12H,3-4H2,1-2H3,(H,21,24)
InChIKeyMOPGDMKLTNCDLV-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.02
Rot. Bonds4

About ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate (PubChem CID 132505191) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate
PubChem CID132505191
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)c1c(-c2ccccc2)nc2ncccn12
InChIInChI=1S/C18H19N5O4/c1-3-26-17(24)21-23(18(25)27-4-2)15-14(13-9-6-5-7-10-13)20-16-19-11-8-12-22(15)16/h5-12H,3-4H2,1-2H3,(H,21,24)
InChIKeyMOPGDMKLTNCDLV-UHFFFAOYSA-N
XLogP3.02
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate (CID 132505191) is ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate is CCOC(=O)NN(C(=O)OCC)c1c(-c2ccccc2)nc2ncccn12.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate?
The InChIKey is MOPGDMKLTNCDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-3-26-17(24)21-23(18(25)27-4-2)15-14(13-9-6-5-7-10-13)20-16-19-11-8-12-22(15)16/h5-12H,3-4H2,1-2H3,(H,21,24).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate has a molecular weight of 369.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbamate is sourced from PubChem (CID 132505191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).