ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate

C20H30N4O4 — CID 70435562

IUPACethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate
SMILESC=CCN(CC=C)c1cc(=NC(=O)OCC)n(O)c(C2(CC)CCCCO2)n1
InChIInChI=1S/C20H30N4O4/c1-5-12-23(13-6-2)16-15-17(22-19(25)27-8-4)24(26)18(21-16)20(7-3)11-9-10-14-28-20/h5-6,15,26H,1-2,7-14H2,3-4H3
InChIKeyCVMQYKSMNGOBTM-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.16
Rot. Bonds8

About ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate

ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate (PubChem CID 70435562) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate
PubChem CID70435562
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nameethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate
SMILESC=CCN(CC=C)c1cc(=NC(=O)OCC)n(O)c(C2(CC)CCCCO2)n1
InChIInChI=1S/C20H30N4O4/c1-5-12-23(13-6-2)16-15-17(22-19(25)27-8-4)24(26)18(21-16)20(7-3)11-9-10-14-28-20/h5-6,15,26H,1-2,7-14H2,3-4H3
InChIKeyCVMQYKSMNGOBTM-UHFFFAOYSA-N
XLogP3.16
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate?
The IUPAC name of ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate (CID 70435562) is ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate.
What is the SMILES notation for ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate?
The canonical SMILES for ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate is C=CCN(CC=C)c1cc(=NC(=O)OCC)n(O)c(C2(CC)CCCCO2)n1.
What is the InChIKey of ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate?
The InChIKey is CVMQYKSMNGOBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-5-12-23(13-6-2)16-15-17(22-19(25)27-8-4)24(26)18(21-16)20(7-3)11-9-10-14-28-20/h5-6,15,26H,1-2,7-14H2,3-4H3.
What are the key properties of ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate?
ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate has a molecular weight of 390.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[bis(prop-2-enyl)amino]-2-(2-ethyloxan-2-yl)-3-hydroxypyrimidin-4-ylidene]carbamate is sourced from PubChem (CID 70435562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).